Geometry & MOs

Info

ID:	178623
PubChem CID:	76357950
Reduced:	SN4O4C20H22 (1)
Stoich.:	AB4C4D20E22 (1)
Weight, g/mol:	408.134617
ΔH_f, kcal/mol:	-94.67
Dipole, Da:	5.35
IP(EA), eV:	-9.25(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C3NC(=O)ON3

DOS

IR

Vibrations