Geometry & MOs

Info

ID:	35633
PubChem CID:	7980121
Reduced:	ClSN2O3H15C16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	397.999175
ΔH_f, kcal/mol:	-19.09
Dipole, Da:	3.71
IP(EA), eV:	-9.29(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3,5-dichloro-4-methylpyridin-2-yl)amino]-2-oxoethyl] (E)-3-(3-chlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCSC2=CC=C(C=C2)Cl

DOS

IR

Vibrations