Geometry & MOs

Info

ID:	245108
PubChem CID:	99437499
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	437.231456
ΔH_f, kcal/mol:	-120.72
Dipole, Da:	5.99
IP(EA), eV:	-8.54(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[[4-[[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

COCCSCC(=O)NC1=CC=C(C=C1)CN2CCC[C@H](C2)C(=O)N

DOS

IR

Vibrations