Geometry & MOs

Info

ID:	381139
PubChem CID:	134971790
Reduced:	NSO4C22H27 (1)
Stoich.:	ABC4D22E27 (1)
Weight, g/mol:	401.16608
ΔH_f, kcal/mol:	-138.66
Dipole, Da:	5.07
IP(EA), eV:	-9.38(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4R)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C=C)C2=CC=CC=C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations