Geometry & MOs

Info

ID:	334255
PubChem CID:	127252807
Reduced:	N3O7C24H29 (1)
Stoich.:	A3B7C24D29 (1)
Weight, g/mol:	419.19574
ΔH_f, kcal/mol:	-232.65
Dipole, Da:	6.39
IP(EA), eV:	-8.46(-0.59)
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-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC(=C(C(=C3)OC)OC)OC)O

DOS

IR

Vibrations