Geometry & MOs

Info

ID:

169839

PubChem CID:

75155848

Reduced:

ClN4O6H29C31 (1)

Stoich.:

AB4C6D29E31 (1)

Weight, g/mol:

556.26857

ΔHf, kcal/mol:

-179.74

Dipole, Da:

3.95

IP(EA), eV:

 -9.14(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(2,4-dimethylanilino)-2-oxoethyl]-3-(furan-2-ylmethyl)-2,4-dioxo-N-(2-phenylethyl)-4a,5,6,7,8,8a-hexahydroquinazoline-7-carboxamide

Drug info:

PubChemData

Smile

C1CC2C(CC1C(=O)NCC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)C5=CC=CC=C5)CC(=O)NC6=CC(=CC=C6)Cl

DOS

IR

Vibrations