Geometry & MOs

Info

ID:

334813

PubChem CID:

127253488

Reduced:

NO3H12C14 (2)

Stoich.:

AB3C12D14 (2)

Weight, g/mol:

602.237664

ΔHf, kcal/mol:

-137.53

Dipole, Da:

4.33

IP(EA), eV:

 -8.48(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)CN2C3=C(C4=C(C2=O)C(=C(C=C4)OC)OC)C(=O)C5=CC=CC=C53

DOS

IR

Vibrations