Geometry & MOs

Info

ID:	58128
PubChem CID:	24424244
Reduced:	OSN2C18H20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	312.129634
ΔH_f, kcal/mol:	4.24
Dipole, Da:	6.98
IP(EA), eV:	-8.38(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)thiourea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=S)NC2=CC=CC3=C2CCCC3

DOS

IR

Vibrations