Geometry & MOs

Info

ID:

215316

PubChem CID:

85084534

Reduced:

O10N11C36H63 (1)

Stoich.:

A10B11C36D63 (1)

Weight, g/mol:

809.454808

ΔHf, kcal/mol:

-489.26

Dipole, Da:

9.55

IP(EA), eV:

 -8.88(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-tert-butyl-3-[[5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-17-(1H-indol-3-ylmethyl)-2,9,13,16,19-pentaoxo-1,8,12,15,18-pentazabicyclo[18.3.0]tricosane-11-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C(C)CC)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CO)N

DOS

IR

Vibrations