Geometry & MOs

Info

ID:	423849
PubChem CID:	135120493
Reduced:	FON4C16H19 (1)
Stoich.:	ABC4D16E19 (1)
Weight, g/mol:	491.253255
ΔH_f, kcal/mol:	-32.31
Dipole, Da:	3.24
IP(EA), eV:	-9.17(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-19-methyl-9,17-dioxa-1,12,13,14,24-pentazapentacyclo[24.3.1.111,14.118,22.03,8]dotriaconta-3(8),4,6,11(32),12,18,20,22(31)-octaen-23-one

Drug info:

PubChemData

Smile

CCC1=C(C(=NC=N1)N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3)F

DOS

IR

Vibrations