Geometry & MOs

Info

ID:

335156

PubChem CID:

127254017

Reduced:

N3O4H27C29 (1)

Stoich.:

A3B4C27D29 (1)

Weight, g/mol:

678.272336

ΔHf, kcal/mol:

-89.41

Dipole, Da:

5.96

IP(EA), eV:

 -8.19(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(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]butanamide

Drug info:

PubChemData

Smile

CC(C)CCN1C=C2C(C3=C(CN(C3=O)C(=O)C)NC4=C2C1=CC=C4)C5=COC6=CC=CC=C6C5=O

DOS

IR

Vibrations