Geometry & MOs

Info

ID:

230259

PubChem CID:

87570535

Reduced:

ClFO3N5C29H39 (1)

Stoich.:

ABC3D5E29F39 (1)

Weight, g/mol:

598.200814

ΔHf, kcal/mol:

-168.94

Dipole, Da:

6.56

IP(EA), eV:

 -8.82(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)NCCC(C)N2CCC(CC2)N(C[C@H]3CCCO3)C(=O)NC4=CC=C(C=C4)F)C)Cl

DOS

IR

Vibrations