Geometry & MOs

Info

ID:	306438
PubChem CID:	125011709
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	336.169859
ΔH_f, kcal/mol:	-40.13
Dipole, Da:	5.94
IP(EA), eV:	-8.59(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)N2CCO[C@H](C2)C3=NC(=CC(=C3)N(C)C)C

DOS

IR

Vibrations