Geometry & MOs

Info

ID:

334814

PubChem CID:

127253489

Reduced:

N2O4C16H17 (2)

Stoich.:

A2B4C16D17 (2)

Weight, g/mol:

508.114962

ΔHf, kcal/mol:

-234.95

Dipole, Da:

7.7

IP(EA), eV:

 -8.45(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,7S)-7'-chloro-9-(4-hydroxyphenyl)-4',6'-dimethoxy-6-methylspiro[1,5,6,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline-7,2'-1-benzofuran]-3',8-dione

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCC(=O)N2)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations