Geometry & MOs

Info

ID:	36286
PubChem CID:	8001020
Reduced:	FSO2N3C18H20 (1)
Stoich.:	ABC2D3E18F20 (1)
Weight, g/mol:	373.128255
ΔH_f, kcal/mol:	-69.14
Dipole, Da:	6.97
IP(EA), eV:	-8.75(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylphenyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)thiourea

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=S)NNC(=O)[C@@H](C)OC2=CC=C(C=C2)F)C

DOS

IR

Vibrations