Geometry & MOs

Info

ID:	141175
PubChem CID:	52830198
Reduced:	SN2O2C24H28 (1)
Stoich.:	AB2C2D24E28 (1)
Weight, g/mol:	348.168522
ΔH_f, kcal/mol:	-49.06
Dipole, Da:	6.0
IP(EA), eV:	-8.44(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)NC(=O)[C@H]3CCCN(C3)C(=O)C4CC4)C

DOS

IR

Vibrations