Geometry & MOs

Info

ID:	431659
PubChem CID:	135171755
Reduced:	N2O3C21H34 (1)
Stoich.:	A2B3C21D34 (1)
Weight, g/mol:	389.071324
ΔH_f, kcal/mol:	-159.42
Dipole, Da:	3.71
IP(EA), eV:	-8.32(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)sulfanyl-5-methyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-amine

Drug info:

PubChemData

Smile

C[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCC(CC2)O)N

DOS

IR

Vibrations