Geometry & MOs

Info

ID:	147175
PubChem CID:	53786828
Reduced:	N5H9C12 (2)
Stoich.:	A5B9C12 (2)
Weight, g/mol:	468.140925
ΔH_f, kcal/mol:	266.11
Dipole, Da:	7.95
IP(EA), eV:	-10.15(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R)-2-[cyano-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]-1,2-diphenylethyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(N=NC(=C2N1CC3=CC=CC=C3C4=CC=CC=C4C5=NNN=N5)C#N)C#N

DOS

IR

Vibrations