Geometry & MOs

Info

ID:	421905
PubChem CID:	135116815
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	491.253255
ΔH_f, kcal/mol:	-99.09
Dipole, Da:	7.7
IP(EA), eV:	-8.87(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-methoxy-17,26-dioxa-3,10,21,22,23-pentazapentacyclo[25.2.2.112,16.121,24.03,8]tritriaconta-1(29),12(33),13,15,22,24(32),27,30-octaen-11-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)C)C(=O)N2C[C@H]([C@@H](C2)O)CC3=NNC(=C3)C

DOS

IR

Vibrations