Geometry & MOs

Info

ID:	65406
PubChem CID:	29214867
Reduced:	FOSN9C20H26 (1)
Stoich.:	ABCD9E20F26 (1)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	51.32
Dipole, Da:	6.17
IP(EA), eV:	-8.72(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-1-methylthiourea

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)/C=N\NC2=NN=C(N2N)SCCC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations