Geometry & MOs

Info

ID:	155197
PubChem CID:	56322627
Reduced:	O3N5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	486.24131
ΔH_f, kcal/mol:	-88.35
Dipole, Da:	4.12
IP(EA), eV:	-9.41(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCC3=C(NN=C3)C)NC1=O

DOS

IR

Vibrations