Geometry & MOs

Info

ID:	443784
PubChem CID:	135259986
Reduced:	ClSN2O4C20H23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	416.196074
ΔH_f, kcal/mol:	-128.9
Dipole, Da:	6.03
IP(EA), eV:	-9.22(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[4-(cyclopropylmethoxy)phenyl]methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=C(C=C2)C(=O)O)C)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations