Geometry & MOs

Info

ID:	58054
PubChem CID:	24423743
Reduced:	OSN3C14H29 (1)
Stoich.:	ABC3D14E29 (1)
Weight, g/mol:	443.074026
ΔH_f, kcal/mol:	-82.13
Dipole, Da:	6.13
IP(EA), eV:	-8.45(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(1-methoxypropan-2-yl)thiourea

Drug info:

PubChemData

Smile

CC1(CC(CC(N1)(C)C)NC(=S)NCCCOC)C

DOS

IR

Vibrations