Geometry & MOs

Info

ID:	182415
PubChem CID:	76887403
Reduced:	OSN2C13H22 (1)
Stoich.:	ABC2D13E22 (1)
Weight, g/mol:	307.081305
ΔH_f, kcal/mol:	-54.9
Dipole, Da:	2.83
IP(EA), eV:	-9.02(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-methylsulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide

Drug info:

PubChemData

Smile

CC(CC1=CC=CS1)NC(=O)C(C(C)(C)C)N

DOS

IR

Vibrations