Geometry & MOs

Info

ID:	58124
PubChem CID:	24424234
Reduced:	SO2N3C10H11 (2)
Stoich.:	AB2C3D10E11 (2)
Weight, g/mol:	350.126441
ΔH_f, kcal/mol:	42.61
Dipole, Da:	5.77
IP(EA), eV:	-9.29(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butylphenyl)-3-[4-(difluoromethoxy)phenyl]thiourea

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations