Geometry & MOs

Info

ID:	127276
PubChem CID:	50996836
Reduced:	Cl4O4N5H23C27 (1)
Stoich.:	A4B4C5D23E27 (1)
Weight, g/mol:	608.036566
ΔH_f, kcal/mol:	-106.56
Dipole, Da:	7.18
IP(EA), eV:	-9.11(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-acetamidopropoxy)-5-chloro-N-[2-oxo-5-(2,4,6-trichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide

Drug info:

PubChemData

Smile

CCNC(=O)NCCOC1=C(C=C(C=C1)Cl)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=C(C=C(C=C4Cl)Cl)Cl

DOS

IR

Vibrations