Geometry & MOs

Info

ID:	404984
PubChem CID:	135071994
Reduced:	ClSN2O2H17C20 (1)
Stoich.:	ABC2D2E17F20 (1)
Weight, g/mol:	474.10155
ΔH_f, kcal/mol:	10.67
Dipole, Da:	9.7
IP(EA), eV:	-9.04(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[butyl-(2-iodobenzoyl)amino]-3-methylbutanoyl]amino]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N/N=C(\C2=CC=CC=C2)/C3=CC(=CC=C3)Cl

DOS

IR

Vibrations