Geometry & MOs

Info

ID:

176279

PubChem CID:

76024447

Reduced:

ClO2N4C25H25 (1)

Stoich.:

AB2C4D25E25 (1)

Weight, g/mol:

969.452442

ΔHf, kcal/mol:

49.99

Dipole, Da:

6.08

IP(EA), eV:

 -8.4(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[19-amino-7,10-bis(2-amino-2-oxoethyl)-13-butan-2-yl-16-(cyclopentylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=NOCCN1CCCC1)C2=CC=C(C=C2)NC3=C4C(=COC4=NC5=CC=CC=C53)Cl

DOS

IR

Vibrations