Geometry & MOs

Info

ID:	58152
PubChem CID:	24424419
Reduced:	OSN3C18H23 (1)
Stoich.:	ABC3D18E23 (1)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	12.89
Dipole, Da:	5.52
IP(EA), eV:	-8.47(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-methoxyphenyl)thiourea

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=S)NCC(C2=CC=CO2)N3CCCC3

DOS

IR

Vibrations