Geometry & MOs

Info

ID:	58116
PubChem CID:	24424213
Reduced:	SN2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	314.145285
ΔH_f, kcal/mol:	45.96
Dipole, Da:	4.91
IP(EA), eV:	-8.26(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-1-ethyl-3-[(4-methoxyphenyl)methyl]thiourea

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(=S)NC2=CC=CC(=C2)C

DOS

IR

Vibrations