Geometry & MOs

Info

ID:

326487

PubChem CID:

126687656

Reduced:

NSC9H15 (1)

Stoich.:

ABC9D15 (1)

Weight, g/mol:

1035.683136

ΔHf, kcal/mol:

3.71

Dipole, Da:

2.68

IP(EA), eV:

-8.45(0.35)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-[(3S,6R,9S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(CNCC1)SC(=C)C

DOS

IR

Vibrations