Geometry & MOs

Info

ID:

189999

PubChem CID:

77938089

Reduced:

SN5O8C31H45 (1)

Stoich.:

AB5C8D31E45 (1)

Weight, g/mol:

618.245642

ΔHf, kcal/mol:

-347.4

Dipole, Da:

5.29

IP(EA), eV:

 -8.98(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[9-[2-carbamoyl-4-[(5-chloro-1,3-benzoxazol-2-yl)oxy]pyrrolidin-1-yl]-8-[(2-methylpropan-2-yl)oxycarbonylamino]-9-oxonon-1-enyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CCCCCC=CC1CC1C(=O)NS(=O)(=O)CC(=O)NC2=CC=CC=C2)C(=O)N3CCCC3C(=O)N

DOS

IR

Vibrations