Geometry & MOs

Info

ID:	420400
PubChem CID:	135112947
Reduced:	N2S2O3C15H24 (1)
Stoich.:	A2B2C3D15E24 (1)
Weight, g/mol:	295.200825
ΔH_f, kcal/mol:	-108.63
Dipole, Da:	4.34
IP(EA), eV:	-8.87(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentanamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)S(=O)(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations