Geometry & MOs

Info

ID:	430
PubChem CID:	2756
Reduced:	SN6C10H16 (1)
Stoich.:	AB6C10D16 (1)
Weight, g/mol:	252.115716
ΔH_f, kcal/mol:	76.77
Dipole, Da:	5.6
IP(EA), eV:	-8.85(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CSCCNC(=NC)NC#N

DOS

IR

Vibrations