Geometry & MOs

Info

ID:	243684
PubChem CID:	99233982
Reduced:	S2N4O4C23H28 (1)
Stoich.:	A2B4C4D23E28 (1)
Weight, g/mol:	431.154863
ΔH_f, kcal/mol:	-135.45
Dipole, Da:	4.26
IP(EA), eV:	-8.85(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@@H]1CCCN(C1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4

DOS

IR

Vibrations