Geometry & MOs

Info

ID:	194541
PubChem CID:	78551963
Reduced:	N3O6C18H23 (1)
Stoich.:	A3B6C18D23 (1)
Weight, g/mol:	338.145285
ΔH_f, kcal/mol:	-228.78
Dipole, Da:	6.01
IP(EA), eV:	-8.97(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)sulfanyl-N-(2-cyanophenyl)propanamide

Drug info:

PubChemData

Smile

CCCN1C(C(C(=O)NC1=O)C(=O)COC(=O)CCOC2=CC=CC=C2)N

DOS

IR

Vibrations