Geometry & MOs

Info

ID:	80615
PubChem CID:	49835519
Reduced:	SO3N6C25H26 (1)
Stoich.:	AB3C6D25E26 (1)
Weight, g/mol:	437.198238
ΔH_f, kcal/mol:	-6.47
Dipole, Da:	5.25
IP(EA), eV:	-8.65(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyrrolidin-3-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC(=CC=C5)S(=O)(=O)N(C)C

DOS

IR

Vibrations