Geometry & MOs

Info

ID:	58093
PubChem CID:	24424010
Reduced:	S2N4O4C23H26 (1)
Stoich.:	A2B4C4D23E26 (1)
Weight, g/mol:	462.139548
ΔH_f, kcal/mol:	-65.22
Dipole, Da:	9.83
IP(EA), eV:	-8.7(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-prop-2-enylthiourea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)NC(=S)NCC4=CC=CO4

DOS

IR

Vibrations