Geometry & MOs

Info

ID:	148080
PubChem CID:	53787742
Reduced:	NO5H11C13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	524.20597
ΔH_f, kcal/mol:	-151.54
Dipole, Da:	2.51
IP(EA), eV:	-9.51(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3R)-1-(2-cyclopentyl-2-oxoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid

Drug info:

PubChemData

Smile

CC(=CC(=O)C1=CC2=C(C=C1)N(C(=O)O2)C)C(=O)O

DOS

IR

Vibrations