Geometry & MOs

Info

ID:	268183
PubChem CID:	103598257
Reduced:	FSN2O2C16H17 (1)
Stoich.:	ABC2D2E16F17 (1)
Weight, g/mol:	345.114713
ΔH_f, kcal/mol:	-69.26
Dipole, Da:	3.07
IP(EA), eV:	-9.12(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[2-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoylamino]phenyl]carbamate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C=CC(=O)NC(C)COC2=CC=C(C=C2)F

DOS

IR

Vibrations