Geometry & MOs

Info

ID:

168687

PubChem CID:

75002461

Reduced:

INSO2C16H18 (1)

Stoich.:

ABCD2E16F18 (1)

Weight, g/mol:

915.506569

ΔHf, kcal/mol:

52.94

Dipole, Da:

0.89

IP(EA), eV:

 -9.12(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[1-[2-[[1-[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

COC(=O)C1C2CCC3N2CC(=CC4=CC=C(S4)I)C1C3

DOS

IR

Vibrations