Geometry & MOs

Info

ID:	217833
PubChem CID:	85088455
Reduced:	SN3O5C19H21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	403.235873
ΔH_f, kcal/mol:	-131.97
Dipole, Da:	7.25
IP(EA), eV:	-9.36(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[16-formyl-10-(hydroxymethyl)-14-methyl-9-oxo-16-azatetracyclo[8.7.0.02,6.013,17]heptadec-2-en-1-yl]propanoate

Drug info:

PubChemData

Smile

C1C(C(=O)N(N2C=CC=C2S1)CC(=O)O)NC(CCC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations