Geometry & MOs

Info

ID:

215557

PubChem CID:

85084902

Reduced:

S3N11O13C42H67 (1)

Stoich.:

A3B11C13D42E67 (1)

Weight, g/mol:

1030.404781

ΔHf, kcal/mol:

-612.22

Dipole, Da:

7.36

IP(EA), eV:

 -8.86(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[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-hydroxy-3-imidazol-1-id-4-ylpropanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]butanoylamino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NCC(=O)NC(CCSC)C(=O)NC(CCC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)N)C(=O)NC(CS)C(=O)O)NC(=O)C(C(C)O)NC(=O)C(CS)N

DOS

IR

Vibrations