Geometry & MOs

Info

ID:

299166

PubChem CID:

117673719

Reduced:

F2O10N11C58H75 (1)

Stoich.:

A2B10C11D58E75 (1)

Weight, g/mol:

361.131408

ΔHf, kcal/mol:

-455.32

Dipole, Da:

3.08

IP(EA), eV:

 -8.68(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[(1R)-2-ethynylcyclopropyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)NCCCN([C@@H](C2=NC(=CN2CC3=CC=CC=C3)C4=C(C=CC(=C4)F)F)C(C)(C)C)C(=O)N5CCOCC5)NC(=O)CCCCCN6C(=O)C=CC6=O

DOS

IR

Vibrations