Geometry & MOs

Info

ID:	381993
PubChem CID:	134972890
Reduced:	SN4O5C36H45 (1)
Stoich.:	AB4C5D36E45 (1)
Weight, g/mol:	456.193674
ΔH_f, kcal/mol:	-182.81
Dipole, Da:	7.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.149007
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[[3,4-bis(phenylmethoxy)phenyl]methylidene]-1,4-dioxaspiro[4.5]decan-3-one

Drug info:

PubChemData

Smile

CC[N+]1=CSC=C1C[C@@H](C(=O)N[C@@H](C)C2=CC=CC3=CC=CC=C32)NC(=O)C(C(C)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C

DOS

IR

Vibrations