Geometry & MOs

Info

ID:	244331
PubChem CID:	99344068
Reduced:	SO4N5H23C24 (1)
Stoich.:	AB4C5D23E24 (1)
Weight, g/mol:	445.14199
ΔH_f, kcal/mol:	-33.43
Dipole, Da:	5.29
IP(EA), eV:	-8.88(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CN(N=C2)CC3=CC=NC=C3)S(=O)(=O)NC4=CC=CC=C4OC

DOS

IR

Vibrations