Geometry & MOs

Info

ID:	326067
PubChem CID:	126686338
Reduced:	O3N4C26H34 (1)
Stoich.:	A3B4C26D34 (1)
Weight, g/mol:	502.107769
ΔH_f, kcal/mol:	-98.92
Dipole, Da:	5.27
IP(EA), eV:	-9.34(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-methylsulfonylphenyl)-1,3-dioxo-2-(2-phenylcyclopropyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide

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

C[C@@]12CCC(C1(C)C)C[C@@H]2NC(=O)N3CCN4[C@@H](C3)C(=O)N(C4=O)[C@H]5C[C@@H]5C6=CC=CC=C6

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

C[C@@]12CCC(C1(C)C)C[C@@H]2NC(=O)N3CCN4[C@@H](C3)C(=O)N(C4=O)[C@H]5C[C@@H]5C6=CC=CC=C6

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):