Geometry & MOs

Info

ID:

219300

PubChem CID:

85098605

Reduced:

N3O4C20H25 (2)

Stoich.:

A3B4C20D25 (2)

Weight, g/mol:

743.224586

ΔHf, kcal/mol:

-327.72

Dipole, Da:

3.78

IP(EA), eV:

 -8.56(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-aminoethyl)-2-[[2-[[1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indol-6-yl]carbamoylamino]-3-thiophen-2-ylpropanoyl]amino]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CCCCC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)N)N(C)C(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OC(C)(C)C

DOS

IR

Vibrations