Geometry & MOs

Info

ID:	282982
PubChem CID:	103950390
Reduced:	ON2C11H20 (1)
Stoich.:	AB2C11D20 (1)
Weight, g/mol:	248.155849
ΔH_f, kcal/mol:	-25.19
Dipole, Da:	2.19
IP(EA), eV:	-9.68(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations