Geometry & MOs

Info

ID:	177917
PubChem CID:	76251909
Reduced:	SN2O5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	450.182254
ΔH_f, kcal/mol:	-187.02
Dipole, Da:	1.89
IP(EA), eV:	-9.0(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[2-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoylamino]phenyl]benzamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)CCNC(=O)C=CC2=CC(=CC=C2)OC

DOS

IR

Vibrations