Geometry & MOs

Info

ID:	65345
PubChem CID:	29214740
Reduced:	FSO2N3C14H20 (1)
Stoich.:	ABC2D3E14F20 (1)
Weight, g/mol:	385.182398
ΔH_f, kcal/mol:	-90.79
Dipole, Da:	5.11
IP(EA), eV:	-8.7(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(2-benzylphenoxy)acetyl]amino]-3-butyl-1-methylthiourea

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)COC1=CC(=CC=C1)F

DOS

IR

Vibrations