Geometry & MOs

Info

ID:	234027
PubChem CID:	92297563
Reduced:	NOSH13C17 (1)
Stoich.:	ABCD13E17 (1)
Weight, g/mol:	370.168128
ΔH_f, kcal/mol:	62.5
Dipole, Da:	2.25
IP(EA), eV:	-8.84(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl N-[(1S)-1-cyano-1-phenylethyl]-N-(2-phenylethyl)carbamate

Drug info:

PubChemData

Smile

C[C@@](C#CC1=CC=CC=C1)(C2=NC3=CC=CC=C3S2)O

DOS

IR

Vibrations