Geometry & MOs

Info

ID:	234660
PubChem CID:	92303258
Reduced:	F2O2N3C23H23 (1)
Stoich.:	A2B2C3D23E23 (1)
Weight, g/mol:	415.112126
ΔH_f, kcal/mol:	-100.65
Dipole, Da:	4.78
IP(EA), eV:	-9.32(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN(CC2=NC=CN2CC3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4F

DOS

IR

Vibrations