Geometry & MOs

Info

ID:	414842
PubChem CID:	135087814
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	-35.88
Dipole, Da:	5.02
IP(EA), eV:	-9.32(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-methoxy-4-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C(C)C)C(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations