Geometry & MOs

Info

ID:

225664

PubChem CID:

87225337

Reduced:

N7O8C30H31 (1)

Stoich.:

A7B8C30D31 (1)

Weight, g/mol:

571.246455

ΔHf, kcal/mol:

-251.83

Dipole, Da:

2.27

IP(EA), eV:

 -8.34(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-carbamoyl-2-(methanesulfonamido)-3-methoxy-6-(2-methylpropyl)phenyl]-1-methyl-7-(piperazin-1-ylmethyl)indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C1=C/C(=C\2/NC3=C(N2)C=C(C=C3)C(=N)N)/C(=O)C(=C1)C4=C(C=CC(=C4)CNC(=O)N)O)C(=O)N(CC(=O)O)CC(=O)O

DOS

IR

Vibrations