Geometry & MOs

Info

ID:	292272
PubChem CID:	114788158
Reduced:	SN5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	321.01466
ΔH_f, kcal/mol:	85.57
Dipole, Da:	6.19
IP(EA), eV:	-8.51(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-bromoethyl)pyrrolidin-1-yl]sulfonyl-1-methylimidazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SC2=NC(=NC3=C2NC=N3)NC)C

DOS

IR

Vibrations