Geometry & MOs

Info

ID:	58060
PubChem CID:	24423811
Reduced:	OSN2C18H22 (1)
Stoich.:	ABC2D18E22 (1)
Weight, g/mol:	453.094762
ΔH_f, kcal/mol:	-1.72
Dipole, Da:	4.51
IP(EA), eV:	-8.42(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(4-propan-2-ylphenyl)thiourea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=S)N(CCO)CC2=CC=CC=C2

DOS

IR

Vibrations