Geometry & MOs

Info

ID:	235399
PubChem CID:	92708375
Reduced:	O2N5C24H31 (1)
Stoich.:	A2B5C24D31 (1)
Weight, g/mol:	415.120192
ΔH_f, kcal/mol:	4.11
Dipole, Da:	2.12
IP(EA), eV:	-8.72(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CC[C@@H](C2)CNC(=O)C3=NOC(=C3CN4C(=CC(=N4)C)C)C

DOS

IR

Vibrations