Geometry & MOs

Info

ID:

173500

PubChem CID:

75646004

Reduced:

SN2O3H17C22 (1)

Stoich.:

AB2C3D17E22 (1)

Weight, g/mol:

420.168522

ΔHf, kcal/mol:

8.84

Dipole, Da:

7.43

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.185829

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)ethyl 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1[O-])C=C2C=NC3=CC=CC=C32)NC4=CC=CC=C4

DOS

IR

Vibrations