Geometry & MOs

Info

ID:	278046
PubChem CID:	103832962
Reduced:	ClOSN2C12H19 (1)
Stoich.:	ABCD2E12F19 (1)
Weight, g/mol:	230.145285
ΔH_f, kcal/mol:	-46.77
Dipole, Da:	4.6
IP(EA), eV:	-9.26(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(2-cyclopropylpropan-2-yl)-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)NCCC1=CC=C(S1)Cl)N

DOS

IR

Vibrations