Geometry & MOs

Info

ID:	195948
PubChem CID:	78753032
Reduced:	O3N4C16H25 (1)
Stoich.:	A3B4C16D25 (1)
Weight, g/mol:	338.041125
ΔH_f, kcal/mol:	-106.1
Dipole, Da:	4.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.944492
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,4-dichlorophenyl)ethyl]-3-(3-methylphenyl)thiourea

Drug info:

PubChemData

Smile

CCNC(=O)C[NH+](CC)C(C1=CC=CC=C1)C(=O)NC(=O)NC

DOS

IR

Vibrations