Geometry & MOs

Info

ID:	34897
PubChem CID:	7979065
Reduced:	SN2O4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	371.166748
ΔH_f, kcal/mol:	-156.83
Dipole, Da:	7.07
IP(EA), eV:	-9.42(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-[(4-butoxybenzoyl)amino]-1-methylthiourea

Drug info:

PubChemData

Smile

CCCNC(=O)COC(=O)[C@H]1CS[C@@]2(N1C(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations