Geometry & MOs

Info

ID:	147911
PubChem CID:	53787571
Reduced:	P2Cl4C6O9H12 (1)
Stoich.:	A2B4C6D9E12 (1)
Weight, g/mol:	393.085574
ΔH_f, kcal/mol:	-584.29
Dipole, Da:	3.86
IP(EA), eV:	-10.48(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-chloro-1-methyl-5-[2-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-2-ylidene]acetamide

Drug info:

PubChemData

Smile

C(COP(=O)(O)O)OCC(C(C(Cl)Cl)(Cl)Cl)OP(=O)(O)O

DOS

IR

Vibrations