Geometry & MOs

Info

ID:	321485
PubChem CID:	126666171
Reduced:	ClO2N5H16C21 (1)
Stoich.:	AB2C5D16E21 (1)
Weight, g/mol:	278.070069
ΔH_f, kcal/mol:	71.97
Dipole, Da:	5.8
IP(EA), eV:	-8.96(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-[2-[3-(trifluoromethoxy)phenyl]ethyl]thiourea

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2C3=CC4=C(C=CN4)N=C3)C(C)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations