Geometry & MOs

Info

ID:	156319
PubChem CID:	56370070
Reduced:	ClSN4O4C18H21 (1)
Stoich.:	ABC4D4E18F21 (1)
Weight, g/mol:	412.247441
ΔH_f, kcal/mol:	-122.41
Dipole, Da:	4.26
IP(EA), eV:	-9.93(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)S(=O)(=O)NCCC(=O)NCCC(=O)NCC2=CC=NC=C2)Cl

DOS

IR

Vibrations