Geometry & MOs

Info

ID:

312624

PubChem CID:

126606850

Reduced:

OH6C7 (2)

Stoich.:

AB6C7 (2)

Weight, g/mol:

622.21584

ΔHf, kcal/mol:

-37.85

Dipole, Da:

4.06

IP(EA), eV:

-8.86(-0.66)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

methyl N-[(10R,15S)-15-[4-(3-chloro-2,6-difluorophenyl)-5-methyl-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,17-diazatricyclo[14.3.1.02,7]icosa-1(20),2(7),3,5,16,18-hexaen-5-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC3=C(C2=O)C=CCC3

DOS

IR

Vibrations