Geometry & MOs

Info

ID:	149577
PubChem CID:	53789251
Reduced:	NO2C6H13 (1)
Stoich.:	AB2C6D13 (1)
Weight, g/mol:	480.148571
ΔH_f, kcal/mol:	-118.38
Dipole, Da:	2.47
IP(EA), eV:	-10.57(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloroethyl)-3-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-3,5,6,7-tetrahydro-2H-benzo[a]heptalen-7-yl)urea

Drug info:

PubChemData

Smile

CC(C)C(C)OC(=O)N

DOS

IR

Vibrations