Geometry & MOs

Info

ID:	388804
PubChem CID:	134990279
Reduced:	N6O12C31H48 (1)
Stoich.:	A6B12C31D48 (1)
Weight, g/mol:	310.063968
ΔH_f, kcal/mol:	-535.02
Dipole, Da:	6.83
IP(EA), eV:	-9.19(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-5-(1-chlorocyclohexyl)-3,4-dihydro-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)N)NC(=O)[C@@H](C)OC1C(C(OC(C1O)CO)OC2=CC=CC=C2)NC(=O)C

DOS

IR

Vibrations