Geometry & MOs

Info

ID:	290704
PubChem CID:	109817172
Reduced:	ISO2N4C18H35 (1)
Stoich.:	ABC2D4E18F35 (1)
Weight, g/mol:	370.240248
ΔH_f, kcal/mol:	-110.78
Dipole, Da:	3.5
IP(EA), eV:	-9.12(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-[(4-ethylsulfanyloxan-4-yl)methyl]-3-(1-propanoylpyrrolidin-3-yl)guanidine

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NCC2(CCOCC2)SCC)NCC.I

DOS

IR

Vibrations