Geometry & MOs

Info

ID:	419289
PubChem CID:	135107901
Reduced:	FN3O3C22H28 (1)
Stoich.:	AB3C3D22E28 (1)
Weight, g/mol:	378.172562
ΔH_f, kcal/mol:	-103.4
Dipole, Da:	2.97
IP(EA), eV:	-9.14(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-hydroxyethyl-[(3-methylimidazol-4-yl)methyl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)C4=CC(=C(C=C4)F)OC

DOS

IR

Vibrations