Geometry & MOs

Info

ID:

334006

PubChem CID:

127252558

Reduced:

BrN4O5C18H19 (1)

Stoich.:

AB4C5D18E19 (1)

Weight, g/mol:

743.244741

ΔHf, kcal/mol:

-116.57

Dipole, Da:

3.93

IP(EA), eV:

 -8.88(-0.5)

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-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)OC)OCO3)CNC(=O)CN4C=C(C=N4)Br

DOS

IR

Vibrations