Geometry & MOs

Info

ID:	178082
PubChem CID:	76274539
Reduced:	SN4O4C22H34 (1)
Stoich.:	AB4C4D22E34 (1)
Weight, g/mol:	352.145678
ΔH_f, kcal/mol:	-143.67
Dipole, Da:	9.26
IP(EA), eV:	-9.01(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-2-[[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]amino]butanoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NCCCN1CC(OC(C1)C)C)NC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations