Geometry & MOs

Info

ID:

230065

PubChem CID:

87570005

Reduced:

OSCl2N7C26H31 (1)

Stoich.:

ABC2D7E26F31 (1)

Weight, g/mol:

559.168785

ΔHf, kcal/mol:

58.18

Dipole, Da:

11.18

IP(EA), eV:

 -9.14(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,6-dichloro-N-[3-[4-[[2,2-dicyano-1-(methylamino)ethenyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)NCC[C@@H](C)N2CCC(CC2)N(CC3=CSC=C3)C(=C(C#N)C#N)NC)Cl)Cl

DOS

IR

Vibrations