Geometry & MOs

Info

ID:	198669
PubChem CID:	79134091
Reduced:	ClOSN2C15H15 (1)
Stoich.:	ABCD2E15F15 (1)
Weight, g/mol:	294.176585
ΔH_f, kcal/mol:	-10.2
Dipole, Da:	4.72
IP(EA), eV:	-8.67(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-aminophenyl)sulfanyl-N-(6-methylheptan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CSC2=C(C=CC(=C2)N)Cl

DOS

IR

Vibrations