Geometry & MOs

Info

ID:

334658

PubChem CID:

127253333

Reduced:

N2O6H22C23 (1)

Stoich.:

A2B6C22D23 (1)

Weight, g/mol:

644.284614

ΔHf, kcal/mol:

-164.4

Dipole, Da:

3.14

IP(EA), eV:

 -8.41(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNC(=O)CN1C2=C(C3=C(C1=O)C(=C(C=C3)OC)OC)C(=O)C4=CC=CC=C42

DOS

IR

Vibrations