Geometry & MOs

Info

ID:

191252

PubChem CID:

78123845

Reduced:

N17O20C50H83 (2)

Stoich.:

A17B20C50D83 (2)

Weight, g/mol:

498.228535

ΔHf, kcal/mol:

-1817.17

Dipole, Da:

36.85

IP(EA), eV:

 -8.97(-2.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(4-chlorophenyl)-2,5-dimethyl-6-(spiro[2.5]octan-6-ylcarbamoyl)pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NC(CCCCN)C(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)C(C(C)CC)NC(=O)CNC(=O)CNC(=O)C(C(C)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)C

DOS

IR

Vibrations