Geometry & MOs

Info

ID:	207166
PubChem CID:	80354873
Reduced:	SN3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	286.152872
ΔH_f, kcal/mol:	14.26
Dipole, Da:	2.58
IP(EA), eV:	-8.36(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[(3-methoxycarbonylpyrrolidine-1-carbonyl)amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CCCNC1=C(C=CC=N1)CSCCN(C)C

DOS

IR

Vibrations