Geometry & MOs

Info

ID:	37135
PubChem CID:	8017301
Reduced:	OSF3N3C22H24 (1)
Stoich.:	ABC3D3E22F24 (1)
Weight, g/mol:	357.151098
ΔH_f, kcal/mol:	-158.55
Dipole, Da:	8.63
IP(EA), eV:	-8.84(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(3-methylphenoxy)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea

Drug info:

PubChemData

Smile

CC[C@@H]1CCCCN1C(=O)CSC2=NC3=C(CCC4=CC=CC=C43)C(=N2)C(F)(F)F

DOS

IR

Vibrations