Geometry & MOs

Info

ID:	368443
PubChem CID:	127328697
Reduced:	SN2O2C19H28 (1)
Stoich.:	AB2C2D19E28 (1)
Weight, g/mol:	364.182064
ΔH_f, kcal/mol:	-82.38
Dipole, Da:	3.96
IP(EA), eV:	-8.37(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(cyclohexylsulfanylmethyl)phenyl]-3-(1,4-dioxan-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1(COC1)CNC(=O)NC2=CC=CC(=C2)CSC3CCCCC3

DOS

IR

Vibrations