Geometry & MOs

Info

ID:	217179
PubChem CID:	85087380
Reduced:	ClNOSC18H26 (1)
Stoich.:	ABCDE18F26 (1)
Weight, g/mol:	340.142307
ΔH_f, kcal/mol:	-49.88
Dipole, Da:	2.74
IP(EA), eV:	-8.73(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 9-hydroxy-17-oxo-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,10-tetraene-8-carboxylate

Drug info:

PubChemData

Smile

CCC(OCC1CC2CCC(C1)N2C)SC3=CC=C(C=C3)Cl

DOS

IR

Vibrations