Geometry & MOs

Info

ID:	307658
PubChem CID:	125307934
Reduced:	O2N3C18H24 (2)
Stoich.:	A2B3C18D24 (2)
Weight, g/mol:	314.082205
ΔH_f, kcal/mol:	-141.84
Dipole, Da:	7.61
IP(EA), eV:	-8.3(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-7-chloro-1,3-dimethyl-5-phenyl-1,5-benzodiazepine-2,4-dione

Drug info:

PubChemData

Smile

CC[C@H](C)N1C[C@@H](C2=C(C=C(C=C21)C3=CN=C(C=C3)N4CCN(CC4)C(=O)OC(C)(C)C)C(=O)NC[C@H]5C(=CC(=NC5=O)C)C)C

DOS

IR

Vibrations