Geometry & MOs

Info

ID:	134180
PubChem CID:	51658408
Reduced:	ClFSO3N4C18H21 (1)
Stoich.:	ABCD3E4F18G21 (1)
Weight, g/mol:	486.266462
ΔH_f, kcal/mol:	-115.54
Dipole, Da:	4.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.965495
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(2S)-2-(4-phenylpiperazin-1-yl)propyl]pentanamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCNC(=O)C3=C(C=CC(=C3)Cl)F

DOS

IR

Vibrations