Geometry & MOs

Info

ID:	178607
PubChem CID:	76355864
Reduced:	SN2O5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	380.159689
ΔH_f, kcal/mol:	-128.75
Dipole, Da:	3.33
IP(EA), eV:	-8.85(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(furan-2-yl)prop-2-enoylamino]-N-[4-methyl-3-(5-methyltetrazol-1-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C=CC(=O)NC2=CC=C(C=C2)CS(=O)(=O)NCC=C)OC

DOS

IR

Vibrations