Geometry & MOs

Info

ID:

326942

PubChem CID:

126688738

Reduced:

ClSO5N7C19H26 (1)

Stoich.:

ABC5D7E19F26 (1)

Weight, g/mol:

1082.630372

ΔHf, kcal/mol:

-129.82

Dipole, Da:

7.89

IP(EA), eV:

 -8.48(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-5-[[4-[4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-[4-[(4-amino-4-carboxybutyl)carbamoylamino]butanoyloxy]-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl]oxy-4-oxobutyl]carbamoylamino]pentanoic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC2=NC=C(C(=N2)N[C@@H]3COC4C3OC[C@@H]4NS(=O)(=O)CC5CCOC5)Cl

DOS

IR

Vibrations