Geometry & MOs

Info

ID:	383590
PubChem CID:	134975389
Reduced:	NO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	605.246061
ΔH_f, kcal/mol:	-84.65
Dipole, Da:	5.54
IP(EA), eV:	-8.84(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[(2S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=O)[C@H](CC1=CC=C(C=C1)O)/C=C/[C@H](CC2=CC=C(C=C2)O)NC

DOS

IR

Vibrations