Geometry & MOs

Info

ID:	213385
PubChem CID:	81063588
Reduced:	NO2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	321.026013
ΔH_f, kcal/mol:	-126.17
Dipole, Da:	3.63
IP(EA), eV:	-10.19(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations