Geometry & MOs

Info

ID:	43640
PubChem CID:	10321580
Reduced:	NO3H29C30 (1)
Stoich.:	AB3C29D30 (1)
Weight, g/mol:	451.172976
ΔH_f, kcal/mol:	-30.38
Dipole, Da:	3.12
IP(EA), eV:	-8.38(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]thiourea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)OC

DOS

IR

Vibrations