Geometry & MOs

Info

ID:	174957
PubChem CID:	75837892
Reduced:	N3O3C19H32 (1)
Stoich.:	A3B3C19D32 (1)
Weight, g/mol:	401.180684
ΔH_f, kcal/mol:	-60.37
Dipole, Da:	5.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.074756
Charge, e:	0

Chem-info

IUPAC name:

2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide

Drug info:

PubChemData

Smile

CC(=CCOC1=C(C=C(C=C1)C[NH2+]CC2CC(NN2)COC)OC)C

DOS

IR

Vibrations