Geometry & MOs

Info

ID:	206519
PubChem CID:	80264059
Reduced:	FOSN2C16H21 (1)
Stoich.:	ABCD2E16F21 (1)
Weight, g/mol:	308.135863
ΔH_f, kcal/mol:	-90.42
Dipole, Da:	5.7
IP(EA), eV:	-8.48(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-carbamothioylcycloheptyl)-2-fluoro-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C(=S)N)NC(=O)C2=C(C=C(C=C2)C)F

DOS

IR

Vibrations