Geometry & MOs

Info

ID:	194922
PubChem CID:	78609766
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	375.125277
ΔH_f, kcal/mol:	-8.52
Dipole, Da:	3.96
IP(EA), eV:	-9.4(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-[(4-nitrophenoxy)methyl]-2,3,4a,5,6,7,8,9a-octahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C#N)(C1CC1)NC(=O)CN(CCOC)CC2=NC(=O)C3C=CC=CC3=N2

DOS

IR

Vibrations