Geometry & MOs

Info

ID:	194623
PubChem CID:	78564739
Reduced:	SN2O5H16C20 (1)
Stoich.:	AB2C5D16E20 (1)
Weight, g/mol:	416.148455
ΔH_f, kcal/mol:	-120.07
Dipole, Da:	5.71
IP(EA), eV:	-9.25(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)C=CC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations