Geometry & MOs

Info

ID:	162143
PubChem CID:	57393758
Reduced:	ClS2O3N5H14C17 (1)
Stoich.:	AB2C3D5E14F17 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	41.04
Dipole, Da:	4.34
IP(EA), eV:	-9.25(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 9-[3-(4,6-dimethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylate

Drug info:

PubChemData

Smile

C1C(N(N=C1C2=NC(=S)ON2)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations