Geometry & MOs

Info

ID:	147685
PubChem CID:	53787342
Reduced:	ClNO5H18C21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	300.097088
ΔH_f, kcal/mol:	-164.86
Dipole, Da:	3.24
IP(EA), eV:	-9.43(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-oxoethyl)-3-phenyl-N-(2H-tetrazol-5-ylcarbamoyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)C3=C(C(=CC=C3)Cl)OC2=O

DOS

IR

Vibrations