Geometry & MOs

Info

ID:	418415
PubChem CID:	135104589
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	-67.47
Dipole, Da:	2.29
IP(EA), eV:	-9.66(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-2-(3-methoxyphenyl)sulfanyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CNC(=O)C2CCCCN2C(=O)C3=CC=CC=C3

DOS

IR

Vibrations