Geometry & MOs

Info

ID:	58033
PubChem CID:	24423627
Reduced:	OSN2C18H22 (1)
Stoich.:	ABC2D18E22 (1)
Weight, g/mol:	350.126441
ΔH_f, kcal/mol:	-3.51
Dipole, Da:	5.91
IP(EA), eV:	-8.59(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylphenyl)-3-[4-(difluoromethoxy)phenyl]thiourea

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)OC

DOS

IR

Vibrations