Geometry & MOs

Info

ID:	150039
PubChem CID:	53789724
Reduced:	OCl2N4C22H22 (1)
Stoich.:	AB2C4D22E22 (1)
Weight, g/mol:	493.178376
ΔH_f, kcal/mol:	-2.42
Dipole, Da:	3.65
IP(EA), eV:	-8.22(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[5-(3-ethoxy-4-methoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]phenyl]-1H-imidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C(CC1=CC=C(C=C1)NCC2=C(C(=CC(=N2)N)N)C3=CC=C(C=C3)Cl)Cl

DOS

IR

Vibrations