Geometry & MOs

Info

ID:	154243
PubChem CID:	56313651
Reduced:	ClSO2N3C18H22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	364.216221
ΔH_f, kcal/mol:	-48.15
Dipole, Da:	1.63
IP(EA), eV:	-9.36(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations