Geometry & MOs

Info

ID:	171898
PubChem CID:	75438852
Reduced:	ClOSF2N4C13H13 (1)
Stoich.:	ABCD2E4F13G13 (1)
Weight, g/mol:	330.151433
ΔH_f, kcal/mol:	-105.1
Dipole, Da:	2.96
IP(EA), eV:	-9.43(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(cyclopentylsulfanylmethyl)phenyl]-3-(1H-imidazol-2-ylmethyl)urea

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)SCC(F)F)NC(=O)NCC2=NC=CN2

DOS

IR

Vibrations