Geometry & MOs

Info

ID:

333987

PubChem CID:

127252539

Reduced:

O7H12C18 (1)

Stoich.:

A7B12C18 (1)

Weight, g/mol:

724.260057

ΔHf, kcal/mol:

-204.86

Dipole, Da:

8.91

IP(EA), eV:

 -9.2(-1.74)

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-[4-(1,1-dioxothiazinan-2-yl)phenyl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C3C(=C2)C(=C(O3)C4=CC=C(C=C4)C(=O)O)CC(=O)O

DOS

IR

Vibrations