Geometry & MOs

Info

ID:	195066
PubChem CID:	78629866
Reduced:	N2O5C17H20 (1)
Stoich.:	A2B5C17D20 (1)
Weight, g/mol:	344.147096
ΔH_f, kcal/mol:	-189.14
Dipole, Da:	8.53
IP(EA), eV:	-9.48(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-(dimethylamino)phenyl]ethylideneamino]-3-[(4-fluorophenyl)methyl]thiourea

Drug info:

PubChemData

Smile

CCCNC(=O)C(C)OC(=O)C1=C(OCC1=O)NC2=CC=CC=C2

DOS

IR

Vibrations