Geometry & MOs

Info

ID:	178385
PubChem CID:	76319932
Reduced:	N5H23C29 (1)
Stoich.:	A5B23C29 (1)
Weight, g/mol:	423.125277
ΔH_f, kcal/mol:	138.12
Dipole, Da:	8.09
IP(EA), eV:	-8.88(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3S)-5-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3=NC=NC(=C3C(=C2)C4=C(NC5=C4C=C(C=C5)C)C6=CC=CC=C6)N

DOS

IR

Vibrations