Geometry & MOs

Info

ID:	334453
PubChem CID:	127253005
Reduced:	SN3O8C23H27 (1)
Stoich.:	AB3C8D23E27 (1)
Weight, g/mol:	589.278801
ΔH_f, kcal/mol:	-260.04
Dipole, Da:	2.73
IP(EA), eV:	-8.93(-0.69)
Spin(S_z, 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-methoxyphenyl)methyl]butanamide

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)OC)OCO3)CNC(=O)C4=C(C=CC(=C4)S(=O)(=O)N(C)C)OC

DOS

IR

Vibrations