Geometry & MOs

Info

ID:	335136
PubChem CID:	127253997
Reduced:	NOH5C6 (4)
Stoich.:	ABC5D6 (4)
Weight, g/mol:	421.138619
ΔH_f, kcal/mol:	-33.23
Dipole, Da:	2.48
IP(EA), eV:	-8.45(-1.57)
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-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCNC5=NC=CC=N5)OC

DOS

IR

Vibrations