Geometry & MOs

Info

ID:	420902
PubChem CID:	135115016
Reduced:	SN3O3C17H21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	562.31552
ΔH_f, kcal/mol:	-77.32
Dipole, Da:	3.37
IP(EA), eV:	-9.26(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,17R,18S)-5-methoxy-12-(2-morpholin-4-ylbenzoyl)-7-oxa-12,15,22-triazatetracyclo[15.5.1.12,6.018,22]tetracosa-2(24),3,5-trien-14-one

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)C(=O)N2CCCN(CC2)C(=O)CC3=CSC=C3

DOS

IR

Vibrations