Geometry & MOs

Info

ID:	144182
PubChem CID:	53328140
Reduced:	NSO4H23C26 (1)
Stoich.:	ABC4D23E26 (1)
Weight, g/mol:	509.275053
ΔH_f, kcal/mol:	-58.92
Dipole, Da:	10.76
IP(EA), eV:	-9.54(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methylpyrrole-2-carbonyl)-N-[1-[5-(morpholine-4-carbonyl)pyridin-2-yl]piperidin-4-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CC(=C(O1)C2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=C(C=C3)OC)CC4=CC=CC=C4

DOS

IR

Vibrations