Geometry & MOs

Info

ID:

215389

PubChem CID:

85084665

Reduced:

S2O9N11C37H65 (1)

Stoich.:

A2B9C11D37E65 (1)

Weight, g/mol:

872.337455

ΔHf, kcal/mol:

-429.54

Dipole, Da:

7.47

IP(EA), eV:

 -8.52(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-4-[[1-[[1-[[3-benzyl-9-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-12-methyl-2,5,8,11,14-pentaoxo-1-thia-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CS)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NCC(=O)NC(CCSC)C(=O)NC(C(C)C)C(=O)NC(CCCN=C(N)N)C(=O)O)N

DOS

IR

Vibrations