Geometry & MOs

Info

ID:	359505
PubChem CID:	127298779
Reduced:	O2S2N3C18H27 (1)
Stoich.:	A2B2C3D18E27 (1)
Weight, g/mol:	353.213698
ΔH_f, kcal/mol:	-78.04
Dipole, Da:	1.33
IP(EA), eV:	-8.84(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNC(=O)CN2CCCC2C(=O)N3CCSCC3

DOS

IR

Vibrations