Geometry & MOs

Info

ID:	305569
PubChem CID:	124960598
Reduced:	SO2N5C14H19 (1)
Stoich.:	AB2C5D14E19 (1)
Weight, g/mol:	387.180758
ΔH_f, kcal/mol:	-19.32
Dipole, Da:	4.77
IP(EA), eV:	-9.5(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3H-benzimidazol-5-yl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)CN2CC[C@H](C2)C3=C(C=NN3)S(=O)(=O)C

DOS

IR

Vibrations