Geometry & MOs

Info

ID:	178105
PubChem CID:	76277817
Reduced:	BrSN2O2H17C18 (1)
Stoich.:	ABC2D2E17F18 (1)
Weight, g/mol:	421.095997
ΔH_f, kcal/mol:	-33.52
Dipole, Da:	6.08
IP(EA), eV:	-9.04(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2CSCN2C(=O)C3=CC=CC=C3)Br

DOS

IR

Vibrations