Geometry & MOs

Info

ID:	128622
PubChem CID:	51052307
Reduced:	N2O7C28H32 (1)
Stoich.:	A2B7C28D32 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-192.34
Dipole, Da:	7.29
IP(EA), eV:	-8.25(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCNC(=O)COC2=COC(=CC2=O)CN3CCC4=CC(=C(C=C4C3)OC)OC

DOS

IR

Vibrations