Geometry & MOs

Info

ID:	278054
PubChem CID:	103833032
Reduced:	ON2C12H26 (1)
Stoich.:	AB2C12D26 (1)
Weight, g/mol:	230.145285
ΔH_f, kcal/mol:	-98.56
Dipole, Da:	2.38
IP(EA), eV:	-9.54(1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide

Drug info:

PubChemData

Smile

CCCC(C)(C)NC(=O)[C@H](C(C)CC)N

DOS

IR

Vibrations