Geometry & MOs

Info

ID:	213959
PubChem CID:	81065593
Reduced:	N3O4C14H19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	314.093643
ΔH_f, kcal/mol:	-174.05
Dipole, Da:	8.43
IP(EA), eV:	-8.74(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(4-methylsulfonylphenyl)carbamoylamino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)NC1=CC=CC(=C1)NC(=O)C

DOS

IR

Vibrations