Geometry & MOs

Info

ID:	244667
PubChem CID:	99376314
Reduced:	SN4O5C20H30 (1)
Stoich.:	AB4C5D20E30 (1)
Weight, g/mol:	475.141321
ΔH_f, kcal/mol:	-220.95
Dipole, Da:	9.27
IP(EA), eV:	-9.49(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3R)-3-(butanoylamino)piperidine-1-carbonyl]phenyl] 3-nitrobenzenesulfonate

Drug info:

PubChemData

Smile

CCCC(=O)N[C@H]1CCCN(C1)C(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

DOS

IR

Vibrations