Geometry & MOs

Info

ID:	129023
PubChem CID:	51066812
Reduced:	N3O3C33H37 (1)
Stoich.:	A3B3C33D37 (1)
Weight, g/mol:	540.240641
ΔH_f, kcal/mol:	-86.32
Dipole, Da:	5.61
IP(EA), eV:	-9.31(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetamidophenyl)sulfonyl-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)NC(=O)C2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations