Geometry & MOs

Info

ID:	178516
PubChem CID:	76340845
Reduced:	ClO4N6H17C20 (1)
Stoich.:	AB4C6D17E20 (1)
Weight, g/mol:	387.150681
ΔH_f, kcal/mol:	-27.28
Dipole, Da:	3.85
IP(EA), eV:	-9.17(-2.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-difluoroethyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-propylprop-2-enamide

Drug info:

PubChemData

Smile

C1C(C(NN1)C2=CC=C(C=C2)Cl)C(=O)NCC(=O)NC3=CC=CC4=C3C(=O)N=NC4=O

DOS

IR

Vibrations