Geometry & MOs

Info

ID:	335080
PubChem CID:	127253886
Reduced:	O7H14C19 (1)
Stoich.:	A7B14C19 (1)
Weight, g/mol:	612.294785
ΔH_f, kcal/mol:	-198.44
Dipole, Da:	4.99
IP(EA), eV:	-8.66(-1.09)
Spin(S_z, 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]-N-(1H-indol-4-yl)-3-methylpentanamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)C3=C(C4=CC5=C(C=C4O3)OCO5)CC(=O)O

DOS

IR

Vibrations