Geometry & MOs

Info

ID:	436732
PubChem CID:	135208371
Reduced:	SO2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	232.078268
ΔH_f, kcal/mol:	-103.68
Dipole, Da:	4.63
IP(EA), eV:	-8.95(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-diamino-1-naphthalen-1-ylthiourea

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)C(CC1=CC=C(C=C1)O)C(C)(C)S

DOS

IR

Vibrations