Geometry & MOs

Info

ID:	237664
PubChem CID:	92720421
Reduced:	ClN3O7H14C20 (1)
Stoich.:	AB3C7D14E20 (1)
Weight, g/mol:	490.092261
ΔH_f, kcal/mol:	-102.08
Dipole, Da:	3.83
IP(EA), eV:	-9.88(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(4R)-2-oxo-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl] 2-quinoxalin-2-ylsulfanylacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations