Geometry & MOs

Info

ID:	5686
PubChem CID:	13490
Reduced:	SN2O2C23H32 (1)
Stoich.:	AB2C2D23E32 (1)
Weight, g/mol:	400.218449
ΔH_f, kcal/mol:	-55.57
Dipole, Da:	2.92
IP(EA), eV:	-8.32(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-bis[4-(3-methylbutoxy)phenyl]carbamimidothioic acid

Drug info:

PubChemData

Smile

CC(C)CCOC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)OCCC(C)C)S

DOS

IR

Vibrations