Geometry & MOs

Info

ID:	178248
PubChem CID:	76303443
Reduced:	ClSO3N4C22H29 (1)
Stoich.:	ABC3D4E22F29 (1)
Weight, g/mol:	445.178376
ΔH_f, kcal/mol:	-103.22
Dipole, Da:	2.58
IP(EA), eV:	-8.53(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxo-1,3-diazinan-5-yl)-N-[(2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2C(S1)NC(NC2=O)C(C)N3CCN(CC3)C4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations