Geometry & MOs

Info

ID:	407023
PubChem CID:	135079154
Reduced:	NOS3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	275.138225
ΔH_f, kcal/mol:	49.92
Dipole, Da:	2.75
IP(EA), eV:	-8.56(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-amino-N-[4-(1,2,4-triazol-4-yl)phenyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C(=CS3)O)SC2=S

DOS

IR

Vibrations