Geometry & MOs

Info

ID:	204379
PubChem CID:	79957302
Reduced:	FNSO2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	278.145285
ΔH_f, kcal/mol:	-129.04
Dipole, Da:	5.42
IP(EA), eV:	-8.64(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-[(2-methylthian-3-yl)amino]benzamide

Drug info:

PubChemData

Smile

CC1C(CCCS1)NC2=C(C=C(C=C2)F)C(=O)OC

DOS

IR

Vibrations