Geometry & MOs

Info

ID:	53361
PubChem CID:	14710701
Reduced:	ClO2N4H11C15 (1)
Stoich.:	AB2C4D11E15 (1)
Weight, g/mol:	149.037131
ΔH_f, kcal/mol:	5.01
Dipole, Da:	2.48
IP(EA), eV:	-9.33(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-amino N-(diaminomethylideneamino)carbamothioate

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C(C=C2)Cl)C(=O)N1NC(=O)C3=CC=NC=C3

DOS

IR

Vibrations