Geometry & MOs

Info

ID:

177157

PubChem CID:

76142126

Reduced:

Cl2S3O8N10H20C24 (1)

Stoich.:

A2B3C8D10E20F24 (1)

Weight, g/mol:

545.300205

ΔHf, kcal/mol:

-104.12

Dipole, Da:

8.57

IP(EA), eV:

 -9.13(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(2-benzyl-3-morpholin-4-yl-3-oxopropyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOCC(=O)NC4=C(C(=CC(=C4)Cl)Cl)O)C5=CSC(=N5)NC=O)SC2)C(=O)O

DOS

IR

Vibrations