Geometry & MOs

Info

ID:	58169
PubChem CID:	24424529
Reduced:	OSN3C19H25 (1)
Stoich.:	ABC3D19E25 (1)
Weight, g/mol:	397.143568
ΔH_f, kcal/mol:	12.0
Dipole, Da:	4.41
IP(EA), eV:	-8.4(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=S)NCC(C2=CC=CC=C2OC)N(C)C

DOS

IR

Vibrations