Geometry & MOs

Info

ID:	155474
PubChem CID:	56365776
Reduced:	N5O5C25H33 (1)
Stoich.:	A5B5C25D33 (1)
Weight, g/mol:	471.194026
ΔH_f, kcal/mol:	-106.58
Dipole, Da:	3.15
IP(EA), eV:	-8.11(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dioxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3=CC(=C(C=C3)NCCOC)[N+](=O)[O-]

DOS

IR

Vibrations