Geometry & MOs

Info

ID:	61693
PubChem CID:	26711833
Reduced:	N2O3C21H32 (1)
Stoich.:	A2B3C21D32 (1)
Weight, g/mol:	422.223929
ΔH_f, kcal/mol:	-166.05
Dipole, Da:	5.24
IP(EA), eV:	-9.65(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)NC1CCCCCC1)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O

DOS

IR

Vibrations