Geometry & MOs

Info

ID:	194830
PubChem CID:	78594538
Reduced:	N4O4C23H30 (1)
Stoich.:	A4B4C23D30 (1)
Weight, g/mol:	370.146347
ΔH_f, kcal/mol:	-109.42
Dipole, Da:	5.36
IP(EA), eV:	-9.06(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)N(C)CC3NC4CCCCC4C(=O)N3

DOS

IR

Vibrations