Geometry & MOs

Info

ID:

168585

PubChem CID:

74990968

Reduced:

S2O4N5H17C18 (1)

Stoich.:

A2B4C5D17E18 (1)

Weight, g/mol:

931.372067

ΔHf, kcal/mol:

-42.59

Dipole, Da:

1.53

IP(EA), eV:

 -9.23(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-16-benzyl-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(=C(N2C1C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)SC4=NN=CS4

DOS

IR

Vibrations