Geometry & MOs

Info

ID:	307235
PubChem CID:	125292636
Reduced:	SO3N5H13C16 (1)
Stoich.:	AB3C5D13E16 (1)
Weight, g/mol:	573.283886
ΔH_f, kcal/mol:	66.0
Dipole, Da:	6.15
IP(EA), eV:	-8.75(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(=NN=C1C2=NN[C@@H](N2C3=CC4=C(C=C3)OCO4)S)C5=CC=CO5

DOS

IR

Vibrations