Geometry & MOs

Info

ID:	290632
PubChem CID:	109781458
Reduced:	SO2N5C20H35 (1)
Stoich.:	AB2C5D20E35 (1)
Weight, g/mol:	414.299476
ΔH_f, kcal/mol:	-70.9
Dipole, Da:	2.65
IP(EA), eV:	-8.82(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC1(CCCC1)CCOCC)NCCNC(=O)C2=C(N=CS2)C

DOS

IR

Vibrations