Geometry & MOs

Info

ID:	79550
PubChem CID:	49829455
Reduced:	SO2N5C23H25 (1)
Stoich.:	AB2C5D23E25 (1)
Weight, g/mol:	430.132434
ΔH_f, kcal/mol:	-8.86
Dipole, Da:	3.35
IP(EA), eV:	-8.73(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[[4-[3-(4-methoxy-3-methylphenyl)prop-2-enoyl]phenyl]sulfonyl-methylamino]butanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)N3C4=CC=CC=C4NC(=O)C3(C)C)C

DOS

IR

Vibrations