Geometry & MOs

Info

ID:	304563
PubChem CID:	124756290
Reduced:	SN2O5C17H24 (1)
Stoich.:	AB2C5D17E24 (1)
Weight, g/mol:	299.149458
ΔH_f, kcal/mol:	-171.11
Dipole, Da:	4.34
IP(EA), eV:	-8.83(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2H-benzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(CC2)C(=O)NC[C@@H]3CN(CCO3)S(=O)(=O)C

DOS

IR

Vibrations