Geometry & MOs

Info

ID:	146428
PubChem CID:	53687546
Reduced:	O2S2F3N3H16C21 (1)
Stoich.:	A2B2C3D3E16F21 (1)
Weight, g/mol:	264.12224
ΔH_f, kcal/mol:	-116.53
Dipole, Da:	6.0
IP(EA), eV:	-9.31(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-morpholin-4-ylethylideneamino)-4-nitroaniline

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CN(N=C2C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C)C4=CSC=N4

DOS

IR

Vibrations