Geometry & MOs

Info

ID:

223027

PubChem CID:

85334043

Reduced:

N13O13C41H73 (1)

Stoich.:

A13B13C41D73 (1)

Weight, g/mol:

955.599406

ΔHf, kcal/mol:

-666.26

Dipole, Da:

3.8

IP(EA), eV:

 -8.83(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[11-butan-2-yl-10-hydroxy-18-[(4-methoxyphenyl)methyl]-15,19-dimethyl-3-(2-methylpropyl)-2,5,8,13,17,20-hexaoxo-6-propan-2-yl-16-oxa-1,4,7,12,19-pentazabicyclo[19.3.0]tetracosan-14-yl]-4-methyl-2-[methyl(2-methylpropanoyl)amino]pentanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations