Geometry & MOs

Info

ID:

214765

PubChem CID:

85083604

Reduced:

BO5N6C32H45 (1)

Stoich.:

AB5C6D32E45 (1)

Weight, g/mol:

603.183767

ΔHf, kcal/mol:

-252.62

Dipole, Da:

8.35

IP(EA), eV:

 -8.53(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(benzenesulfonylmethyl)-4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[(2,6-dichloroquinazolin-4-yl)amino]pyrrolidin-2-one

Drug info:

PubChemData

Smile

B1(OC2CC3CC(C2O1)C3(C)C)C(CCCN4C=CN=C4N)NC(=O)C5CCCN5C(=O)C(CC6=CC=CC=C6)NC(=O)C

DOS

IR

Vibrations