Geometry & MOs

Info

ID:	415636
PubChem CID:	135088635
Reduced:	SN4C18H24 (1)
Stoich.:	AB4C18D24 (1)
Weight, g/mol:	509.33659
ΔH_f, kcal/mol:	61.39
Dipole, Da:	1.74
IP(EA), eV:	-8.52(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,17R,18S)-12-[(2-butyl-1H-imidazol-5-yl)methyl]-5-methoxy-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

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)CC4=CSC=C4

DOS

IR

Vibrations