Geometry & MOs

Info

ID:	334524
PubChem CID:	127253199
Reduced:	ClN4O5H21C24 (1)
Stoich.:	AB4C5D21E24 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	-80.96
Dipole, Da:	5.54
IP(EA), eV:	-9.02(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[2-oxo-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=CC(=CC=C4)N5C=NN=C5

DOS

IR

Vibrations