Geometry & MOs

Info

ID:	162027
PubChem CID:	57393385
Reduced:	NO6H25C30 (1)
Stoich.:	AB6C25D30 (1)
Weight, g/mol:	330.197714
ΔH_f, kcal/mol:	-134.95
Dipole, Da:	2.4
IP(EA), eV:	-8.55(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN2CC3=CC4=C(C=C3[C@H]5[C@H]2C1=C[C@@H]([C@H]5OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OCO4

DOS

IR

Vibrations