Geometry & MOs

Info

ID:	177410
PubChem CID:	76182333
Reduced:	SN4O8C39H46 (1)
Stoich.:	AB4C8D39E46 (1)
Weight, g/mol:	390.099791
ΔH_f, kcal/mol:	-281.45
Dipole, Da:	10.65
IP(EA), eV:	-8.8(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-N-[2-(4-nitrophenyl)ethyl]-6-oxo-2-thiophen-2-yl-1,3-diazinane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)CC(C(=O)NC3=CC=CC(=C3)C(C4CC4)C5=C(C6=C(CCCCCC6)OC5=O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations