Geometry & MOs

Info

ID:	139798
PubChem CID:	52596622
Reduced:	SN3O6C21H27 (1)
Stoich.:	AB3C6D21E27 (1)
Weight, g/mol:	429.189986
ΔH_f, kcal/mol:	-176.09
Dipole, Da:	11.15
IP(EA), eV:	-8.56(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(morpholine-4-carbonyl)phenyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)NC(=O)NCCC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations