Geometry & MOs

Info

ID:	213820
PubChem CID:	81065134
Reduced:	NSO5C14H19 (1)
Stoich.:	ABC5D14E19 (1)
Weight, g/mol:	271.061136
ΔH_f, kcal/mol:	-214.67
Dipole, Da:	6.99
IP(EA), eV:	-10.02(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chloro-4-hydroxybenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations