Geometry & MOs

Info

ID:	62178
PubChem CID:	26717888
Reduced:	SN2O6C24H32 (1)
Stoich.:	AB2C6D24E32 (1)
Weight, g/mol:	472.203193
ΔH_f, kcal/mol:	-213.75
Dipole, Da:	8.86
IP(EA), eV:	-8.41(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-methoxy-5-[(E)-3-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)NC(=O)/C=C/C2=CC(=C(C=C2)OC)S(=O)(=O)NC(C)(C)C

DOS

IR

Vibrations