Geometry & MOs

Info

ID:	419373
PubChem CID:	135108055
Reduced:	SO3N5C13H21 (1)
Stoich.:	AB3C5D13E21 (1)
Weight, g/mol:	507.32094
ΔH_f, kcal/mol:	-75.25
Dipole, Da:	3.03
IP(EA), eV:	-9.48(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,17R,18S)-5-methoxy-12-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-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

CC(=O)N1CCCN(CC1)CC(=O)NC2=NN=C(S2)COC

DOS

IR

Vibrations