Geometry & MOs

Info

ID:

191866

PubChem CID:

78195444

Reduced:

SN5O6C31H37 (1)

Stoich.:

AB5C6D31E37 (1)

Weight, g/mol:

628.298764

ΔHf, kcal/mol:

-204.78

Dipole, Da:

11.42

IP(EA), eV:

 -8.86(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-1-chloro-8-(3-naphthalen-1-ylpropyl)-4-oxo-N-[1-(2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl)but-3-enyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=CC=CC=C1SCC(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C3C=CC=NC3=O)O

DOS

IR

Vibrations