Geometry & MOs

Info

ID:	433306
PubChem CID:	135173443
Reduced:	O2N3C18H31 (1)
Stoich.:	A2B3C18D31 (1)
Weight, g/mol:	583.261711
ΔH_f, kcal/mol:	-88.42
Dipole, Da:	3.21
IP(EA), eV:	-8.05(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[3-[[[3-(dimethylamino)phenyl]-methylcarbamoyl]-methylamino]anilino]sulfanyl-4-methoxyphenyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CCOC1=CN=C(C=C1)N2CCN(CC2)CC(C)CC(C)(C)O

DOS

IR

Vibrations