Geometry & MOs

Info

ID:

186837

PubChem CID:

77491404

Reduced:

BN4O4C19H27 (1)

Stoich.:

AB4C4D19E27 (1)

Weight, g/mol:

608.321

ΔHf, kcal/mol:

-157.2

Dipole, Da:

5.7

IP(EA), eV:

 -9.19(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(1,3-dihydroisoindole-2-carbonyloxy)-2-methylidene-14-[(2-methylpropan-2-yl)oxycarbonylamino]-15-oxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

B(C(CC(C)C)NCC(C)NC(=O)C1=[N+](C=CN=C1C2=CC=CC=C2)[O-])(O)O

DOS

IR

Vibrations