Geometry & MOs

Info

ID:

223012

PubChem CID:

85333883

Reduced:

N8O12C43H68 (1)

Stoich.:

A8B12C43D68 (1)

Weight, g/mol:

888.441526

ΔHf, kcal/mol:

-611.08

Dipole, Da:

4.34

IP(EA), eV:

 -9.11(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-[[1-[[1-[[6-[[1-amino-1-oxo-6-[4-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)butanoylamino]hexan-2-yl]amino]-6-oxohexyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)O)NC(=O)C(CC(=O)O)N

DOS

IR

Vibrations