Geometry & MOs

Info

ID:	193068
PubChem CID:	78337604
Reduced:	Cl2O3N4H8C14 (1)
Stoich.:	A2B3C4D8E14 (1)
Weight, g/mol:	462.139548
ΔH_f, kcal/mol:	58.45
Dipole, Da:	9.15
IP(EA), eV:	-9.78(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetyl]amino]-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=NC(=O)NC2=CC1N=CC3=CC(=C(C=C3Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations