Geometry & MOs

Info

ID:	182417
PubChem CID:	76887489
Reduced:	ON2S2C16H24 (1)
Stoich.:	AB2C2D16E24 (1)
Weight, g/mol:	327.0041
ΔH_f, kcal/mol:	-43.17
Dipole, Da:	2.6
IP(EA), eV:	-8.59(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(2-bromo-4-cyanophenyl)-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CSCCC(C(=O)NC1=CC=C(C=C1)SC2CCCC2)N

DOS

IR

Vibrations