Geometry & MOs

Info

ID:	193305
PubChem CID:	78373908
Reduced:	N5O6C23H28 (1)
Stoich.:	A5B6C23D28 (1)
Weight, g/mol:	344.083764
ΔH_f, kcal/mol:	-196.22
Dipole, Da:	2.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756354
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-[2-(carbamothioylhydrazinylidene)ethyl]-2,4-dioxo-1,3-diazinan-1-yl]ethylideneamino]thiourea

Drug info:

PubChemData

Smile

CC(C)C[N+]1=C(C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C)N

DOS

IR

Vibrations