Geometry & MOs

Info

ID:	58154
PubChem CID:	24424427
Reduced:	OSN3C19H25 (1)
Stoich.:	ABC3D19E25 (1)
Weight, g/mol:	397.109411
ΔH_f, kcal/mol:	7.46
Dipole, Da:	7.37
IP(EA), eV:	-8.2(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(difluoromethylsulfanyl)phenyl]-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]thiourea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=S)NCC(C2=CC=CO2)N3CCCC3

DOS

IR

Vibrations