Geometry & MOs

Info

ID:	223808
PubChem CID:	85335601
Reduced:	BrSN4O8C21H27 (1)
Stoich.:	ABC4D8E21F27 (1)
Weight, g/mol:	575.160328
ΔH_f, kcal/mol:	-342.2
Dipole, Da:	2.4
IP(EA), eV:	-9.3(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-chloro-5-(2-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-1-cyano-3-(2-methyl-4-morpholin-4-ylphenyl)guanidine

Drug info:

PubChemData

Smile

CC(=O)SCC1=C(C=CC(=C1)NC(=O)C(=O)O)CCNC(=O)C(CO)NC(=O)CCNC(=O)CBr

DOS

IR

Vibrations