Geometry & MOs

Info

ID:	364818
PubChem CID:	127316226
Reduced:	SO2N5C19H25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-19.89
Dipole, Da:	4.7
IP(EA), eV:	-8.88(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)N2CCN(CC2)CC3=NC=CN3)C(=O)C4=CC=CS4

DOS

IR

Vibrations