Geometry & MOs

Info

ID:	58094
PubChem CID:	24424016
Reduced:	S2N4O4C21H26 (1)
Stoich.:	A2B4C4D21E26 (1)
Weight, g/mol:	494.165762
ΔH_f, kcal/mol:	-69.61
Dipole, Da:	6.27
IP(EA), eV:	-8.8(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-(3-methoxypropyl)thiourea

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)NC(=S)NCC=C)N3CCOCC3

DOS

IR

Vibrations