Geometry & MOs

Info

ID:	144884
PubChem CID:	53427908
Reduced:	NPSO5C6H16 (1)
Stoich.:	ABCD5E6F16 (1)
Weight, g/mol:	628.15626
ΔH_f, kcal/mol:	-289.21
Dipole, Da:	3.95
IP(EA), eV:	-8.78(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohex-2-en-1-yl-5-[(4-nitroanilino)methyl]-3-[(2-oxo-2-phenothiazin-10-ylethyl)amino]-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CC(N1CCS(CC1)(O)O)P(=O)(O)O

DOS

IR

Vibrations