Geometry & MOs

Info

ID:	339479
PubChem CID:	127261412
Reduced:	BrNSO3H14C16 (1)
Stoich.:	ABCD3E14F16 (1)
Weight, g/mol:	307.168462
ΔH_f, kcal/mol:	-53.55
Dipole, Da:	4.0
IP(EA), eV:	-9.57(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2E)-2-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]iminoethyl]formamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC=C(C=C2)Br)/NC=O

DOS

IR

Vibrations