Geometry & MOs

Info

ID:	272139
PubChem CID:	103727354
Reduced:	NSO2C6H9 (2)
Stoich.:	ABC2D6E9 (2)
Weight, g/mol:	272.01604
ΔH_f, kcal/mol:	-141.63
Dipole, Da:	2.28
IP(EA), eV:	-9.28(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-1H-pyrrol-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1(CCN(C1)C(=O)CN(C)S(=O)(=O)C2=CC=CS2)O

DOS

IR

Vibrations