Geometry & MOs

Info

ID:

223836

PubChem CID:

85335641

Reduced:

ClNSF4O4H24C29 (1)

Stoich.:

ABCD4E4F24G29 (1)

Weight, g/mol:

593.149968

ΔHf, kcal/mol:

-290.84

Dipole, Da:

9.64

IP(EA), eV:

 -8.65(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-3-[(4-oxo-4aH-quinazolin-2-yl)sulfanyl]propyl]-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC(C)C2=C(SC(=N2)C3=CC=C(C=C3)C(F)(F)F)COC4=C(C=CC=C4Cl)F)CCC(=O)O

DOS

IR

Vibrations