Geometry & MOs

Info

ID:	175204
PubChem CID:	75866421
Reduced:	Cl2S2N3O3H15C16 (1)
Stoich.:	A2B2C3D3E15F16 (1)
Weight, g/mol:	435.161663
ΔH_f, kcal/mol:	-37.33
Dipole, Da:	8.69
IP(EA), eV:	-9.15(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-[[methyl-[3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]amino]methyl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2C=CC=NC2=S)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations