Geometry & MOs

Info

ID:	235400
PubChem CID:	92708461
Reduced:	SN3O5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	458.162391
ΔH_f, kcal/mol:	-153.71
Dipole, Da:	7.35
IP(EA), eV:	-8.66(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[3-(dimethylamino)-4-methylphenyl]-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4

DOS

IR

Vibrations