Geometry & MOs

Info

ID:	443360
PubChem CID:	135258714
Reduced:	SO3N7C24H27 (1)
Stoich.:	AB3C7D24E27 (1)
Weight, g/mol:	507.194026
ΔH_f, kcal/mol:	-54.06
Dipole, Da:	5.75
IP(EA), eV:	-8.54(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7S)-4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C2C(=O)NC(N2C(=O)C(=C1)NC3=C4C5=C(C[C@H](CC5)C(=O)N6CC(C6)N)SC4=NC=N3)(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C2C(=O)NC(N2C(=O)C(=C1)NC3=C4C5=C(C[C@H](CC5)C(=O)N6CC(C6)N)SC4=NC=N3)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):