Geometry & MOs

Info

ID:	41592
PubChem CID:	8146414
Reduced:	S2N3O3C15H19 (1)
Stoich.:	A2B3C3D15E19 (1)
Weight, g/mol:	275.138225
ΔH_f, kcal/mol:	-54.38
Dipole, Da:	3.41
IP(EA), eV:	-8.75(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-N-(tert-butylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)CN2C(=S)OC(=N2)C3=CC=CS3

DOS

IR

Vibrations