Geometry & MOs

Info

ID:

340015

PubChem CID:

127262024

Reduced:

O6N10C41H54 (1)

Stoich.:

A6B10C41D54 (1)

Weight, g/mol:

570.316583

ΔHf, kcal/mol:

-184.49

Dipole, Da:

7.55

IP(EA), eV:

 -8.55(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)[C@H](CO)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N(CC(=O)N)C2=CC=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53

DOS

IR

Vibrations