Geometry & MOs

Info

ID:	335625
PubChem CID:	127254487
Reduced:	ON6C16H18 (1)
Stoich.:	AB6C16D18 (1)
Weight, g/mol:	433.21139
ΔH_f, kcal/mol:	71.6
Dipole, Da:	4.87
IP(EA), eV:	-9.09(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide

Drug info:

PubChemData

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CC[C@H](C)[C@@H](C(=O)NC1=CC=CC2=C1N=CC=C2)N3C=NN=N3

DOS

IR

Vibrations