Geometry & MOs

Info

ID:	42019
PubChem CID:	8148156
Reduced:	N3O4C19H27 (1)
Stoich.:	A3B4C19D27 (1)
Weight, g/mol:	420.114866
ΔH_f, kcal/mol:	-195.74
Dipole, Da:	2.46
IP(EA), eV:	-9.89(0.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-chlorophenyl)methyl-[(1S)-1-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-methylazanium

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@H]1C)NC(=O)NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O

DOS

IR

Vibrations