Geometry & MOs

Info

ID:

188610

PubChem CID:

77741703

Reduced:

Cl2N2S2F3O3H19C22 (1)

Stoich.:

A2B2C2D3E3F19G22 (1)

Weight, g/mol:

607.246455

ΔHf, kcal/mol:

-215.44

Dipole, Da:

4.55

IP(EA), eV:

 -9.0(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[4-[[3-[(2-methylpropan-2-yl)oxy]-2-[naphthalen-1-yl(sulfino)amino]-3-oxopropyl]carbamoyl]phenyl]propanoylamino]-1,4,5,6-tetrahydropyrimidine

Drug info:

PubChemData

Smile

CC1(CCNC1)OC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=C(S3)Cl)C4=CC=C(C=C4)C(F)(F)F)Cl

DOS

IR

Vibrations