Geometry & MOs

Info

ID:	213172
PubChem CID:	81063116
Reduced:	NSO3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	281.126323
ΔH_f, kcal/mol:	-140.55
Dipole, Da:	2.13
IP(EA), eV:	-9.09(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC=C2C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations