Geometry & MOs

Info

ID:	359487
PubChem CID:	127298761
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	391.229348
ΔH_f, kcal/mol:	-115.18
Dipole, Da:	2.17
IP(EA), eV:	-8.7(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1OC)NC(=O)CN2CCCC2C(=O)N3CCSCC3

DOS

IR

Vibrations