Geometry & MOs

Info

ID:	38379
PubChem CID:	8034215
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	370.236876
ΔH_f, kcal/mol:	-57.64
Dipole, Da:	8.35
IP(EA), eV:	-8.41(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea

Drug info:

PubChemData

Smile

CN1C=CC=C1CN(CCCN2CCOCC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations