Geometry & MOs

Info

ID:	244447
PubChem CID:	99355564
Reduced:	ON5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	355.180839
ΔH_f, kcal/mol:	39.53
Dipole, Da:	2.49
IP(EA), eV:	-9.3(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylimidazol-1-yl)butanamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C1=CC=C(C=C1)C(C)(C)C)NC(=O)C2=NN=C(C=C2)N3C=CN=C3

DOS

IR

Vibrations