Geometry & MOs

Info

ID:	146559
PubChem CID:	53705531
Reduced:	SN4O8H26C30 (1)
Stoich.:	AB4C8D26E30 (1)
Weight, g/mol:	455.151492
ΔH_f, kcal/mol:	-150.0
Dipole, Da:	6.9
IP(EA), eV:	-9.17(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]phenyl]-2-oxopropanamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(N2[C@H](C(C2=O)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations