Geometry & MOs

Info

ID:	149470
PubChem CID:	53789143
Reduced:	ClOS2H9C15 (1)
Stoich.:	ABC2D9E15 (1)
Weight, g/mol:	472.211747
ΔH_f, kcal/mol:	31.61
Dipole, Da:	5.92
IP(EA), eV:	-8.96(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(4-ethylmorpholin-4-ium-4-yl)amino] (2R)-3,3-dimethyl-2-(4-nitrophenyl)sulfonyl-2-propan-2-ylbutanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(S2)C=CC3=CC=C(S3)C(=O)Cl

DOS

IR

Vibrations