Geometry & MOs

Info

ID:

146280

PubChem CID:

53664419

Reduced:

ClNSO3H8C9 (2)

Stoich.:

ABCD3E8F9 (2)

Weight, g/mol:

795.427924

ΔHf, kcal/mol:

-212.97

Dipole, Da:

2.32

IP(EA), eV:

 -9.14(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]butanedioic acid

Drug info:

PubChemData

Smile

CC(=O)OC(C1=C(N2[C@@H](CC2=O)SC1)C(=O)O)NC(=O)CSC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations