Geometry & MOs

Info

ID:	335032
PubChem CID:	127253838
Reduced:	SN3O5C25H29 (1)
Stoich.:	AB3C5D25E29 (1)
Weight, g/mol:	595.362136
ΔH_f, kcal/mol:	-155.02
Dipole, Da:	6.3
IP(EA), eV:	-8.25(-0.86)
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-nonylbutanamide

Drug info:

PubChemData

Smile

COC1=C(C=C2CN([C@@H](CC2=C1)C(=O)N)C(=O)[C@H](CCSC)N3CC4=CC=CC=C4C3=O)OC

DOS

IR

Vibrations