Geometry & MOs

Info

ID:	31504
PubChem CID:	855799
Reduced:	OSN3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	299.109233
ΔH_f, kcal/mol:	13.6
Dipole, Da:	2.32
IP(EA), eV:	-8.77(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[(4-methylbenzoyl)amino]thiourea

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NCC2=CC=CC=C2

DOS

IR

Vibrations