Geometry & MOs

Info

ID:	274291
PubChem CID:	103808321
Reduced:	BrOSN2C12H17 (1)
Stoich.:	ABCD2E12F17 (1)
Weight, g/mol:	318.00376
ΔH_f, kcal/mol:	-24.35
Dipole, Da:	4.46
IP(EA), eV:	-9.33(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CCNC1)C(=O)NCCC2=CC=C(S2)Br

DOS

IR

Vibrations