Geometry & MOs

Info

ID:	46869
PubChem CID:	10528004
Reduced:	N3O4C27H31 (1)
Stoich.:	A3B4C27D31 (1)
Weight, g/mol:	462.171987
ΔH_f, kcal/mol:	-102.24
Dipole, Da:	3.3
IP(EA), eV:	-9.1(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-[N-(diethoxyphosphorylmethyl)-4-fluoroanilino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)O/N=C(/CC2=CC3=CC=CC=C3C=C2)\N

DOS

IR

Vibrations