Geometry & MOs

Info

ID:	235401
PubChem CID:	92708465
Reduced:	SN4O5C22H26 (1)
Stoich.:	AB4C5D22E26 (1)
Weight, g/mol:	443.151492
ΔH_f, kcal/mol:	-152.46
Dipole, Da:	6.72
IP(EA), eV:	-8.4(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(2,5-dimethylphenyl)methyl]-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations