Geometry & MOs

Info

ID:	61015
PubChem CID:	26704326
Reduced:	ClSN3O3H16C21 (1)
Stoich.:	ABC3D3E16F21 (1)
Weight, g/mol:	486.101621
ΔH_f, kcal/mol:	20.72
Dipole, Da:	1.73
IP(EA), eV:	-9.25(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] 3-[(2-methylbenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)CCC3=NC(=NO3)C4=CSC=C4

DOS

IR

Vibrations