Geometry & MOs

Info

ID:	58156
PubChem CID:	24424435
Reduced:	OSN3C14H23 (1)
Stoich.:	ABC3D14E23 (1)
Weight, g/mol:	464.191583
ΔH_f, kcal/mol:	-17.21
Dipole, Da:	6.62
IP(EA), eV:	-8.36(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(diethylsulfamoyl)-2-methylphenyl]-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]thiourea

Drug info:

PubChemData

Smile

CCCNC(=S)NCC(C1=CC=CO1)N2CCCC2

DOS

IR

Vibrations