Geometry & MOs

Info

ID:

187771

PubChem CID:

77621770

Reduced:

SN2F3O5H35C36 (1)

Stoich.:

AB2C3D5E35F36 (1)

Weight, g/mol:

470.191383

ΔHf, kcal/mol:

-309.09

Dipole, Da:

6.65

IP(EA), eV:

 -8.78(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethoxymethyl)-2-methyl-4-[2-[(2-methyltetrazol-5-yl)methyl]anilino]-6-nitro-3,4-dihydrochromen-3-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC(CC1=CC=CC=C1)NC(=O)C2CC3=CC=CC=C3N2S(=O)(=O)C4=CC=C(C=C4)C5=CC(=CC=C5)C(F)(F)F

DOS

IR

Vibrations