Geometry & MOs

Info

ID:

168589

PubChem CID:

74991766

Reduced:

SN5O5C30H43 (1)

Stoich.:

AB5C5D30E43 (1)

Weight, g/mol:

567.34207

ΔHf, kcal/mol:

-210.87

Dipole, Da:

3.52

IP(EA), eV:

 -8.46(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-cyclopropyl-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]acetyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CC1CCCC(N1C(=O)NC(C2CC2)C(=O)NC(CC3=C(NC4=CC=CC=C43)C)C(=O)NC(CCSC)C(=O)O)C

DOS

IR

Vibrations