Geometry & MOs

Info

ID:	159819
PubChem CID:	57288784
Reduced:	N3O7C30H33 (1)
Stoich.:	A3B7C30D33 (1)
Weight, g/mol:	258.111208
ΔH_f, kcal/mol:	-238.2
Dipole, Da:	7.95
IP(EA), eV:	-9.09(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(1-propylsulfanylcyclopropyl)methanone

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CC2=C(O1)C=CC(=C2)C#N)C3=CC=C(C=C3)O[C@H]4C[C@H](N(C4)C(=O)OC(C)(C)C)C(=O)N

DOS

IR

Vibrations