Geometry & MOs

Info

ID:	31739
PubChem CID:	3288080
Reduced:	SO2F3N3H24C26 (1)
Stoich.:	AB2C3D3E24F26 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	-184.76
Dipole, Da:	5.66
IP(EA), eV:	-8.36(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC12N(CCS2)C(=O)C3=CC=C(C=C3)C(F)(F)F)C(=O)NC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations