Geometry & MOs

Info

ID:

169827

PubChem CID:

75155773

Reduced:

SCl2O2N5C25H27 (1)

Stoich.:

AB2C2D5E25F27 (1)

Weight, g/mol:

572.227099

ΔHf, kcal/mol:

-4.06

Dipole, Da:

9.76

IP(EA), eV:

 -8.57(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[2-[7-(furan-2-ylmethylcarbamoyl)-3-(4-methylphenyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=S)N2CCC(CC2)C3=CC(=O)N4C(N3)CC(N4)C5=CC=C(C=C5)Cl)Cl

DOS

IR

Vibrations