Geometry & MOs

Info

ID:	69482
PubChem CID:	47193263
Reduced:	ClOSN2C14H15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	360.06986
ΔH_f, kcal/mol:	-7.07
Dipole, Da:	5.76
IP(EA), eV:	-8.64(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3-dimethylbutyl)-3-(4-iodo-2-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)N(C)CC2=CC=CS2

DOS

IR

Vibrations