Geometry & MOs

Info

ID:	325528
PubChem CID:	126683780
Reduced:	SO5N6H28C31 (1)
Stoich.:	AB5C6D28E31 (1)
Weight, g/mol:	215.065454
ΔH_f, kcal/mol:	-1.82
Dipole, Da:	2.64
IP(EA), eV:	-8.26(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3-azido-1-ethoxy-1-oxopropan-2-ylidene)amino]carbamic acid

Drug info:

PubChemData

Smile

CC1=NN2C=C(N=C2N=C1)C3=CC4=C(O3)C=C(C=C4OCC5=CSC(=N5)C6=CC=C(C=C6)C(=O)N(C)[C@@H]7CCOC7)OC

DOS

IR

Vibrations