Geometry & MOs

Info

ID:

7552

PubChem CID:

73367

Reduced:

N10O13C61H104 (1)

Stoich.:

A10B13C61D104 (1)

Weight, g/mol:

1184.778433

ΔHf, kcal/mol:

-682.0

Dipole, Da:

15.54

IP(EA), eV:

 -9.0(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-4-ethyl-1-[(2S)-2-[2-hydroxybutanoyl(methyl)amino]-3-methylbutanoyl]-N-methyl-N-[(3S,6S,9S,15S,18S,19R,25R,28S)-4,11,19,26-tetramethyl-6-(3-methylbutyl)-15,25-bis(2-methylpropyl)-2,5,8,14,17,21,24,27-octaoxo-3-propan-2-yl-20-oxa-1,4,7,13,16,23,26-heptazatricyclo[26.3.0.09,13]hentriacontan-18-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1C[C@H](N(C1)C(=O)[C@H](C(C)C)N(C)C(=O)C(CC)O)C(=O)N(C)[C@H]2[C@H](OC(=O)CNC(=O)[C@H](N(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H]4CC(CN4C(=O)[C@@H](NC2=O)CC(C)C)C)CCC(C)C)C)C(C)C)C)CC(C)C)C

DOS

IR

Vibrations