Geometry & MOs

Info

ID:	243132
PubChem CID:	99215842
Reduced:	ClSO2N3H18C20 (1)
Stoich.:	ABC2D3E18F20 (1)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	-26.64
Dipole, Da:	6.46
IP(EA), eV:	-8.95(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)[C@@H]2CSCN2C(=O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations