Geometry & MOs

Info

ID:

224781

PubChem CID:

85352624

Reduced:

N9O16C51H67 (1)

Stoich.:

A9B16C51D67 (1)

Weight, g/mol:

1239.501908

ΔHf, kcal/mol:

-699.85

Dipole, Da:

6.14

IP(EA), eV:

 -8.77(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxy-2-methyl-5-phenylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-5-chloro-1,3-thiazol-4-yl]-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCC(=O)N)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)NC(=O)C

DOS

IR

Vibrations