Geometry & MOs

Info

ID:	58092
PubChem CID:	24423989
Reduced:	OSN3H21C22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	486.139548
ΔH_f, kcal/mol:	44.53
Dipole, Da:	6.84
IP(EA), eV:	-8.32(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-ylmethyl)-3-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]thiourea

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)NC(=S)NC3=CC=C(C=C3)OC)C4=CC=CC=C41

DOS

IR

Vibrations