Geometry & MOs

Info

ID:	120948
PubChem CID:	50751692
Reduced:	SN4O4C21H24 (1)
Stoich.:	AB4C4D21E24 (1)
Weight, g/mol:	433.178376
ΔH_f, kcal/mol:	-89.69
Dipole, Da:	3.46
IP(EA), eV:	-8.91(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)C2=CC(=NN2)C3=CC(=C(C=C3)OC)S(=O)(=O)N(C)C)C

DOS

IR

Vibrations