Geometry & MOs

Info

ID:	444377
PubChem CID:	135262222
Reduced:	FC2H3 (3)
Stoich.:	AB2C3 (3)
Weight, g/mol:	656.295848
ΔH_f, kcal/mol:	-160.1
Dipole, Da:	1.89
IP(EA), eV:	-10.1(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-[[(3R)-1-(4-acetyloxy-3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]anilino]acetate

Drug info:

PubChemData

Smile

CC(=C(C)C(F)F)CF

DOS

IR

Vibrations