Geometry & MOs

Info

ID:	427533
PubChem CID:	135159627
Reduced:	BrFO2S2N4C20H20 (1)
Stoich.:	ABC2D2E4F20G20 (1)
Weight, g/mol:	530.095584
ΔH_f, kcal/mol:	-44.14
Dipole, Da:	1.12
IP(EA), eV:	-8.55(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R,6S)-3-[(2Z,4Z)-2-chloro-6-fluorohepta-2,4,6-trien-3-yl]-6-(dimethoxyphosphorylamino)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-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

CCOC(=O)C1=C2C(CCN2C(=NC1C3=C(C=C(C=C3)F)Br)C4=NC=CS4)NSC

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

CCOC(=O)C1=C2C(CCN2C(=NC1C3=C(C=C(C=C3)F)Br)C4=NC=CS4)NSC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):