Geometry & MOs

Info

ID:	3899
PubChem CID:	10380
Reduced:	OSN3C19H25 (1)
Stoich.:	ABC3D19E25 (1)
Weight, g/mol:	343.171834
ΔH_f, kcal/mol:	12.81
Dipole, Da:	3.53
IP(EA), eV:	-7.81(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butoxyphenyl)-N'-[4-(dimethylamino)phenyl]carbamimidothioic acid

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)N(C)C)S

DOS

IR

Vibrations