Geometry & MOs

Info

ID:	37817
PubChem CID:	8024815
Reduced:	SO2N3C20H30 (1)
Stoich.:	AB2C3D20E30 (1)
Weight, g/mol:	382.202321
ΔH_f, kcal/mol:	-57.69
Dipole, Da:	9.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757123
Charge, e:	2

Chem-info

IUPAC name:

(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methyl-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N(C2=NC(=CS2)C[NH2+]CCCOC(C)C)C(=O)C

DOS

IR

Vibrations