Geometry & MOs

Info

ID:	79542
PubChem CID:	49826122
Reduced:	FN2S2O3H15C19 (1)
Stoich.:	AB2C2D3E15F19 (1)
Weight, g/mol:	385.120861
ΔH_f, kcal/mol:	-72.75
Dipole, Da:	3.53
IP(EA), eV:	-8.37(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-3-phenylthiourea

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC(=CS3)C4=CC=C(C=C4)F

DOS

IR

Vibrations