Geometry & MOs

Info

ID:	218834
PubChem CID:	85090043
Reduced:	S2N3O5C25H29 (1)
Stoich.:	A2B3C5D25E29 (1)
Weight, g/mol:	515.256626
ΔH_f, kcal/mol:	-153.16
Dipole, Da:	6.99
IP(EA), eV:	-9.09(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[1-[4-[2-(methanesulfonamido)phenyl]piperazin-1-yl]-1-oxo-5-phenylpentan-2-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)N1C=C(C2=CC=CC=C21)C(=O)C3CSC(N3C(=O)OC(C)(C)C)C4=CN=CC=C4

DOS

IR

Vibrations