Geometry & MOs

Info

ID:	420042
PubChem CID:	135110847
Reduced:	NSO3C21H25 (1)
Stoich.:	ABC3D21E25 (1)
Weight, g/mol:	461.24269
ΔH_f, kcal/mol:	-93.53
Dipole, Da:	6.22
IP(EA), eV:	-8.9(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17,25-dioxa-3,10,20,21,22-pentazapentacyclo[24.2.2.13,7.112,16.120,23]tritriaconta-1(28),12(32),13,15,21,23(31),26,29-octaen-11-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCC(=O)N2CCC3(CC2)C4=C(CCO3)C=CS4

DOS

IR

Vibrations