Geometry & MOs

Info

ID:	127275
PubChem CID:	50996835
Reduced:	FON4C26H33 (1)
Stoich.:	ABC4D26E33 (1)
Weight, g/mol:	623.047465
ΔH_f, kcal/mol:	-55.29
Dipole, Da:	4.28
IP(EA), eV:	-8.09(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)C1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)F)C=C(C(=C3)C)C

DOS

IR

Vibrations