Geometry & MOs

Info

ID:	61999
PubChem CID:	26716829
Reduced:	ClSN3O5C23H29 (1)
Stoich.:	ABC3D5E23F29 (1)
Weight, g/mol:	442.03902
ΔH_f, kcal/mol:	-156.37
Dipole, Da:	3.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752114
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-chloro-5-nitrobenzoyl)amino]phenyl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(=O)OC(C)C

DOS

IR

Vibrations