Geometry & MOs

Info

ID:	43325
PubChem CID:	10321132
Reduced:	O2N6C25H26 (1)
Stoich.:	A2B6C25D26 (1)
Weight, g/mol:	442.146347
ΔH_f, kcal/mol:	-2.83
Dipole, Da:	5.98
IP(EA), eV:	-8.6(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-oxo-2-[(1-trityltriazol-4-yl)amino]ethyl] ethanethioate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)NC2=CC=CC(=C2)C(=O)C3=CN(C4=NC=NC(=C34)N)C(C)C)C

DOS

IR

Vibrations