Geometry & MOs

Info

ID:	169617
PubChem CID:	75126570
Reduced:	SN4O4C22H28 (1)
Stoich.:	AB4C4D22E28 (1)
Weight, g/mol:	470.198777
ΔH_f, kcal/mol:	-129.88
Dipole, Da:	2.39
IP(EA), eV:	-9.26(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxo-1,3-diazinan-5-yl]-N-benzyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(S1)C(=O)N(CC2=CC=CC=C2)C3C(N(C(=O)NC3=O)CCOC)N)C

DOS

IR

Vibrations