Geometry & MOs

Info

ID:	58125
PubChem CID:	24424236
Reduced:	OSF2N2C18H20 (1)
Stoich.:	ABC2D2E18F20 (1)
Weight, g/mol:	433.18577
ΔH_f, kcal/mol:	-105.56
Dipole, Da:	7.15
IP(EA), eV:	-8.66(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butylphenyl)-3-[5-(diethylsulfamoyl)-2-methylphenyl]thiourea

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)OC(F)F

DOS

IR

Vibrations