Geometry & MOs

Info

ID:

11961

PubChem CID:

124291

Reduced:

O12N16C57H80 (1)

Stoich.:

A12B16C57D80 (1)

Weight, g/mol:

1180.614162

ΔHf, kcal/mol:

-473.75

Dipole, Da:

15.12

IP(EA), eV:

 -8.9(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[(2S)-2-(propylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)C6CCC(=O)N6

DOS

IR

Vibrations