Geometry & MOs

Info

ID:	346870
PubChem CID:	127271374
Reduced:	SN3O3C18H31 (1)
Stoich.:	AB3C3D18E31 (1)
Weight, g/mol:	352.168145
ΔH_f, kcal/mol:	-175.39
Dipole, Da:	4.29
IP(EA), eV:	-8.81(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C(C)NC(=O)CSCC(=O)N2CCCCC2

DOS

IR

Vibrations