Geometry & MOs

Info

ID:

164374

PubChem CID:

74391732

Reduced:

S2N8O8C35H44 (1)

Stoich.:

A2B8C8D35E44 (1)

Weight, g/mol:

662.310435

ΔHf, kcal/mol:

-208.47

Dipole, Da:

2.39

IP(EA), eV:

 -8.89(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[3-benzoyl-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]phenyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)N(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=NC(=NC5=C4SC=C5)C6=CC=CC=N6)NC(=O)OC(C)(C)C

DOS

IR

Vibrations