Geometry & MOs

Info

ID:	175741
PubChem CID:	75942650
Reduced:	SN4O4C20H30 (1)
Stoich.:	AB4C4D20E30 (1)
Weight, g/mol:	473.148426
ΔH_f, kcal/mol:	-176.08
Dipole, Da:	5.06
IP(EA), eV:	-8.43(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[1-(3,5-dichloro-4-methoxybenzoyl)piperidine-3-carbonyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC(=O)C1CCCN(C1)C(=O)C2=C(N=CC=C2)SC

DOS

IR

Vibrations