Geometry & MOs

Info

ID:	20073
PubChem CID:	578697
Reduced:	SN4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	250.125218
ΔH_f, kcal/mol:	58.1
Dipole, Da:	2.71
IP(EA), eV:	-9.12(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-methylpropyl)-N-(1-pyridin-4-ylethylideneamino)carbamimidothioic acid

Drug info:

PubChemData

Smile

CC(C)CN=C(NN=C(C)C1=CC=NC=C1)S

DOS

IR

Vibrations