Geometry & MOs

Info

ID:	288910
PubChem CID:	104328227
Reduced:	FOSN2C14H17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	302.088912
ΔH_f, kcal/mol:	-77.35
Dipole, Da:	3.52
IP(EA), eV:	-8.59(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-carbamothioylphenyl)-4-fluoro-N,2-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)NC2(CCCC2)C(=S)N

DOS

IR

Vibrations