Geometry & MOs

Info

ID:	368446
PubChem CID:	127328700
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	378.197714
ΔH_f, kcal/mol:	-96.22
Dipole, Da:	3.75
IP(EA), eV:	-8.52(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(cyclohexylsulfanylmethyl)phenyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CC(=O)N1CCCN(CC1)C(=O)NC2=CC=CC(=C2)CSC3CCCCC3

DOS

IR

Vibrations