Geometry & MOs

Info

ID:	336038
PubChem CID:	127255045
Reduced:	SO3N5H21C23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	496.211055
ΔH_f, kcal/mol:	-29.4
Dipole, Da:	6.18
IP(EA), eV:	-9.49(-1.37)
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-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C)CC1=NN=C(S1)NC(=O)CN2C3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations