Geometry & MOs

Info

ID:	414445
PubChem CID:	135087403
Reduced:	SO2N5C14H19 (1)
Stoich.:	AB2C5D14E19 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-24.26
Dipole, Da:	4.27
IP(EA), eV:	-8.93(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-4-(4-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CSC(=N3)NC

DOS

IR

Vibrations