Geometry & MOs

Info

ID:	217454
PubChem CID:	85087849
Reduced:	NSO2C22H23 (1)
Stoich.:	ABC2D22E23 (1)
Weight, g/mol:	365.213698
ΔH_f, kcal/mol:	-8.13
Dipole, Da:	3.41
IP(EA), eV:	-8.28(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(1-cyclohexyl-3-hydroxy-5-pyridin-2-ylsulfanylpentan-2-yl)propanamide

Drug info:

PubChemData

Smile

C1CC=CC(C1)N2CC(C3=CC4=C(C=C3C2)OCO4)SC5=CC=CC=C5

DOS

IR

Vibrations