Geometry & MOs

Info

ID:	31972
PubChem CID:	3726119
Reduced:	ClSN2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	350.041125
ΔH_f, kcal/mol:	35.51
Dipole, Da:	3.57
IP(EA), eV:	-8.5(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,4-dichlorophenyl)methyl]-3-(2,3-dihydro-1H-inden-1-yl)thiourea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=S)NC2CCC3=CC=CC=C23)Cl

DOS

IR

Vibrations