Geometry & MOs

Info

ID:

298867

PubChem CID:

117662011

Reduced:

BrN4O4H27C30 (1)

Stoich.:

AB4C4D27E30 (1)

Weight, g/mol:

792.395896

ΔHf, kcal/mol:

-92.28

Dipole, Da:

11.15

IP(EA), eV:

 -8.07(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-[(2S)-2-[5-[4-[5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-4-methylpentanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1-benzofuran-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)[C@H](C2=CC=CC=C2)NC(=O)O)C(=O)NC3=CC4=C(C=C3)C5=C(CC4)C6=C(N5)C=CC(=C6)Br

DOS

IR

Vibrations