Geometry & MOs

Info

ID:

172773

PubChem CID:

75549886

Reduced:

SN3O5C25H25 (1)

Stoich.:

AB3C5D25E25 (1)

Weight, g/mol:

509.232599

ΔHf, kcal/mol:

-128.03

Dipole, Da:

5.65

IP(EA), eV:

 -8.53(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropyl-4-[[1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)S(=O)(=O)NC2=CC3=[N+](C(=O)C(=O)[N+](=C3C=C2OC4=CC=CC=C4)C)C)C)C

DOS

IR

Vibrations