Geometry & MOs

Info

ID:	63396
PubChem CID:	26758239
Reduced:	FN2O5H17C20 (1)
Stoich.:	AB2C5D17E20 (1)
Weight, g/mol:	459.194026
ΔH_f, kcal/mol:	-206.07
Dipole, Da:	7.78
IP(EA), eV:	-8.79(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-methoxy-5-[(E)-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)[C@H](C)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O)F

DOS

IR

Vibrations