Geometry & MOs

Info

ID:

441128

PubChem CID:

135233239

Reduced:

NO4C15H21 (1)

Stoich.:

AB4C15D21 (1)

Weight, g/mol:

591.148488

ΔHf, kcal/mol:

-169.74

Dipole, Da:

3.3

IP(EA), eV:

 -8.53(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-N-(2-bicyclo[4.1.0]hepta-1(6),2,4-trienyl)-N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-3-(4-cyanopyridin-2-yl)-2-oxo-1,3-oxazinane-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)C1=C(C=C(OC1=O)CCC/C=C/NC)O

DOS

IR

Vibrations