Geometry & MOs

Info

ID:	188966
PubChem CID:	77795201
Reduced:	PN2O8C33H50 (1)
Stoich.:	AB2C8D33E50 (1)
Weight, g/mol:	309.124405
ΔH_f, kcal/mol:	-384.53
Dipole, Da:	5.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753645
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(5-chloropyridin-3-yl)oxy-1-(3-cyclopropylprop-2-ynylamino)butan-2-ol

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OCC(C)C(=O)OCOC(=O)C1CC(CN1C(=O)C[P+](=O)CCCCC2=CC=CC=C2)C3CCCCC3)N

DOS

IR

Vibrations