Geometry & MOs

Info

ID:

185931

PubChem CID:

77370087

Reduced:

SN6O6C41H52 (1)

Stoich.:

AB6C6D41E52 (1)

Weight, g/mol:

579.258065

ΔHf, kcal/mol:

-189.14

Dipole, Da:

8.23

IP(EA), eV:

 -9.22(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-2-[(5-methoxycarbonyl-1-phenylmethoxycarbonylpyrrolidin-2-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1(CCCCN1CC(C(CC2=CC=CC=C2)NC(=O)CN(C(=O)C3=NC4=CC=CC=C4C=C3)C(C)(C)C)O)S(=O)(=O)C5=CC=CC=N5

DOS

IR

Vibrations