Geometry & MOs

Info

ID:	158118
PubChem CID:	56463012
Reduced:	SN3O4C22H29 (1)
Stoich.:	AB3C4D22E29 (1)
Weight, g/mol:	378.194343
ΔH_f, kcal/mol:	-114.59
Dipole, Da:	7.77
IP(EA), eV:	-8.67(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[4-[(2-phenyl-2-pyrrolidin-1-ylacetyl)amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)N3CCCC3)S(=O)(=O)N(C)C

DOS

IR

Vibrations