Geometry & MOs

Info

ID:	275891
PubChem CID:	103818793
Reduced:	SO2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	318.180424
ΔH_f, kcal/mol:	-52.52
Dipole, Da:	4.81
IP(EA), eV:	-8.52(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[3-(5-methyltetrazol-1-yl)anilino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)CC1=CC(=CC=C1)NCC2=CN=CS2

DOS

IR

Vibrations