Geometry & MOs

Info

ID:	148075
PubChem CID:	53787737
Reduced:	OSN2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	461.206304
ΔH_f, kcal/mol:	7.43
Dipole, Da:	2.05
IP(EA), eV:	-8.61(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hept-2-enoxyphenyl)-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C2C=C3C(=NC2=C(C=C1)C)SN(C3=O)C

DOS

IR

Vibrations