Geometry & MOs

Info

ID:	31503
PubChem CID:	855798
Reduced:	ON2C18H22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	341.156184
ΔH_f, kcal/mol:	-20.23
Dipole, Da:	4.33
IP(EA), eV:	-8.34(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[(4-tert-butylbenzoyl)amino]thiourea

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC2=CC=CC=C21)N3CCCCC3

DOS

IR

Vibrations