Geometry & MOs

Info

ID:	208531
PubChem CID:	80540734
Reduced:	ClN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	296.119464
ΔH_f, kcal/mol:	-135.4
Dipole, Da:	5.05
IP(EA), eV:	-9.36(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CCNC(=O)N(C)CC1=CC(=CC=C1)Cl)C(=O)O

DOS

IR

Vibrations