Geometry & MOs

Info

ID:	296932
PubChem CID:	117601712
Reduced:	FO3N7H40C41 (1)
Stoich.:	AB3C7D40E41 (1)
Weight, g/mol:	337.142641
ΔH_f, kcal/mol:	-17.34
Dipole, Da:	6.27
IP(EA), eV:	-8.94(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]butanamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=NN(C3=CC(=NC=C32)NC(=O)NC4CN(CC4F)C(=O)OC(C)(C)C)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations