Geometry & MOs

Info

ID:	244666
PubChem CID:	99376312
Reduced:	SN4O5C22H32 (1)
Stoich.:	AB4C5D22E32 (1)
Weight, g/mol:	438.193691
ΔH_f, kcal/mol:	-211.19
Dipole, Da:	4.04
IP(EA), eV:	-9.27(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@H]1CCCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

DOS

IR

Vibrations