Geometry & MOs

Info

ID:	161100
PubChem CID:	57390762
Reduced:	SO3N4C24H30 (1)
Stoich.:	AB3C4D24E30 (1)
Weight, g/mol:	548.218178
ΔH_f, kcal/mol:	-74.42
Dipole, Da:	6.17
IP(EA), eV:	-9.52(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-chloro-N-propan-2-ylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)CN2C3=C(C=C(C=C3)S(=O)(=O)C4=CC=NC=C4)N=C2C(C)(C)C

DOS

IR

Vibrations