Geometry & MOs

Info

ID:	335878
PubChem CID:	127254740
Reduced:	ClNF2O3H20C33 (1)
Stoich.:	ABC2D3E20F33 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-67.07
Dipole, Da:	3.58
IP(EA), eV:	-9.03(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-nonylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@H]([C@@H](N4C3C=CC5=C4C=CC(=C5)F)C(=O)C6=CC=C(C=C6)Cl)C7=CC=C(C=C7)F

DOS

IR

Vibrations