Geometry & MOs

Info

ID:

163494

PubChem CID:

58005257

Reduced:

PSN4O7C27H33 (1)

Stoich.:

ABC4D7E27F33 (1)

Weight, g/mol:

615.180423

ΔHf, kcal/mol:

-300.51

Dipole, Da:

8.46

IP(EA), eV:

 -8.45(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2S)-2-[[5-(3-cyclopropylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxymethyl]morpholin-4-yl]ethoxymethylphosphonic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC=CC(=C1)C2=CC(=C(C3=C2C4=C(N3)N=CC(=C4)C)C)C(=O)NCCN(C)CCOP(=O)(O)O

DOS

IR

Vibrations