Geometry & MOs

Info

ID:	195573
PubChem CID:	78703256
Reduced:	SN3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	314.145285
ΔH_f, kcal/mol:	6.61
Dipole, Da:	5.48
IP(EA), eV:	-9.29(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(4-methylphenyl)thiourea

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations