Geometry & MOs

Info

ID:	140785
PubChem CID:	52759510
Reduced:	SN4O5C17H26 (1)
Stoich.:	AB4C5D17E26 (1)
Weight, g/mol:	396.183127
ΔH_f, kcal/mol:	-205.75
Dipole, Da:	6.02
IP(EA), eV:	-9.18(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(carbamoylamino)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pentanamide

Drug info:

PubChemData

Smile

CCC[C@H](C(=O)NC1=CC(=C(C=C1)C)S(=O)(=O)N2CCOCC2)NC(=O)N

DOS

IR

Vibrations