Geometry & MOs

Info

ID:	328436
PubChem CID:	126723069
Reduced:	P3N8C11O13H17 (1)
Stoich.:	A3B8C11D13E17 (1)
Weight, g/mol:	346.116486
ΔH_f, kcal/mol:	-629.14
Dipole, Da:	9.73
IP(EA), eV:	-9.41(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-hydroxy-3-(4-hydroxyphenoxy)-2-methyl-N-(3-methyl-4-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

C1[C@H](C(OC1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OCN=[N+]=[N-]

DOS

IR

Vibrations