Geometry & MOs

Info

ID:	419330
PubChem CID:	135107986
Reduced:	ClNSO4C18H26 (1)
Stoich.:	ABCD4E18F26 (1)
Weight, g/mol:	303.140533
ΔH_f, kcal/mol:	-188.83
Dipole, Da:	7.59
IP(EA), eV:	-9.26(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-imidazol-2-yl)propyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)N2CCC[C@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations