Geometry & MOs

Info

ID:

224111

PubChem CID:

85338344

Reduced:

N6O9C30H44 (1)

Stoich.:

A6B9C30D44 (1)

Weight, g/mol:

632.137545

ΔHf, kcal/mol:

-425.86

Dipole, Da:

13.13

IP(EA), eV:

 -9.61(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[amino-(2-piperidin-1-ylsulfonylanilino)methylidene]amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C2CCCN2

DOS

IR

Vibrations