Geometry & MOs

Info

ID:	79741
PubChem CID:	49830219
Reduced:	ON4C14H18 (2)
Stoich.:	AB4C14D18 (2)
Weight, g/mol:	419.17012
ΔH_f, kcal/mol:	-13.36
Dipole, Da:	8.39
IP(EA), eV:	-8.67(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-tert-butylphenyl)ethyl]-3-[[4-(methanesulfonamido)phenyl]methyl]thiourea

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CN(CCC3=CNC4=CC=CC=C43)C(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations