Geometry & MOs

Info

ID:	172298
PubChem CID:	75491195
Reduced:	O8H22C27 (1)
Stoich.:	A8B22C27 (1)
Weight, g/mol:	561.2475
ΔH_f, kcal/mol:	-222.66
Dipole, Da:	6.62
IP(EA), eV:	-8.37(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C2CC(=O)OC3=C2C4=C(C=C3)C(=O)C(=CO4)C5=CC=C(C=C5)O)OC)OC

DOS

IR

Vibrations