Geometry & MOs

Info

ID:	27059
PubChem CID:	814096
Reduced:	SN3O3C17H19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	349.065176
ΔH_f, kcal/mol:	-54.32
Dipole, Da:	3.53
IP(EA), eV:	-9.13(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)CN(CC=C)C(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations