Geometry & MOs

Info

ID:	278073
PubChem CID:	103833141
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	216.129634
ΔH_f, kcal/mol:	-76.95
Dipole, Da:	1.67
IP(EA), eV:	-9.57(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCC1=NC=C(O1)C)N

DOS

IR

Vibrations