Geometry & MOs

Info

ID:	402128
PubChem CID:	135054528
Reduced:	NSO3C20H25 (1)
Stoich.:	ABC3D20E25 (1)
Weight, g/mol:	632.262147
ΔH_f, kcal/mol:	-63.11
Dipole, Da:	6.26
IP(EA), eV:	-9.27(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetramethyl (8aS,8bS)-4,5-bis(phenylmethoxymethyl)-1,3,6,8,8a,8b-hexahydro-as-indacene-2,2,7,7-tetracarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]3C(=C)CC(=CC[C@@]3(C2)C)C(=O)C

DOS

IR

Vibrations