Geometry & MOs

Info

ID:	155076
PubChem CID:	56320650
Reduced:	O3N5C23H31 (1)
Stoich.:	A3B5C23D31 (1)
Weight, g/mol:	439.167811
ΔH_f, kcal/mol:	-88.73
Dipole, Da:	2.95
IP(EA), eV:	-8.62(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[methyl(prop-2-enyl)sulfamoyl]phenyl]-3-[2-(1-phenylpyrazol-3-yl)ethyl]urea

Drug info:

PubChemData

Smile

CCNC(=O)COC1=CC=C(C=C1)NC(=O)NC2CCN(CC2)CCC3=CC=NC=C3

DOS

IR

Vibrations