Geometry & MOs

Info

ID:

82072

PubChem CID:

49855560

Reduced:

SO4N5H33C35 (1)

Stoich.:

AB4C5D33E35 (1)

Weight, g/mol:

626.267525

ΔHf, kcal/mol:

-39.46

Dipole, Da:

2.86

IP(EA), eV:

 -8.6(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)dibenzothiophen-1-yl]-3-(3-morpholin-4-ylpropylamino)propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNCCC(=O)NC2=C3C4=CC=CC=C4SC3=C(C=C2)C5=CC=CN6C5=NC(=CC6=O)N7CCOCC7

DOS

IR

Vibrations