Geometry & MOs

Info

ID:

170034

PubChem CID:

75185572

Reduced:

ClN4O4C32H41 (1)

Stoich.:

AB4C4D32E41 (1)

Weight, g/mol:

547.225326

ΔHf, kcal/mol:

-179.25

Dipole, Da:

7.73

IP(EA), eV:

 -9.27(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-benzylsulfanylethyl)-3-[2,4-dioxo-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]propanamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(=O)CN2C3CCCCC3C(=O)N(C2=O)CCCCC(=O)NCCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations