Geometry & MOs

Info

ID:	175740
PubChem CID:	75942649
Reduced:	SN4O4C23H30 (1)
Stoich.:	AB4C4D23E30 (1)
Weight, g/mol:	422.198777
ΔH_f, kcal/mol:	-147.25
Dipole, Da:	4.6
IP(EA), eV:	-9.41(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC(=O)C1CCCN(C1)C(=O)C2=CSC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations