Geometry & MOs

Info

ID:	159951
PubChem CID:	57299242
Reduced:	ClNOC5H10 (1)
Stoich.:	ABCD5E10 (1)
Weight, g/mol:	518.216535
ΔH_f, kcal/mol:	-79.1
Dipole, Da:	4.25
IP(EA), eV:	-10.36(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-3-[4-[N-acetyl-3-methoxy-4-[(2-methylphenyl)carbamoylamino]anilino]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCC(=O)NC(C)Cl

DOS

IR

Vibrations