Geometry & MOs

Info

ID:	304484
PubChem CID:	124753421
Reduced:	SO2N3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	440.194737
ΔH_f, kcal/mol:	-42.12
Dipole, Da:	5.79
IP(EA), eV:	-9.33(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3R,7S,8S,9R,10S,14R)-5,12-bis(2-prop-2-enoxyethyl)-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)N=C(S2)CNC(=O)C[C@@H]3C4=CC=CC=C4C(=O)N3

DOS

IR

Vibrations