Geometry & MOs

Info

ID:	325882
PubChem CID:	126685417
Reduced:	FN4O4C25H25 (1)
Stoich.:	AB4C4D25E25 (1)
Weight, g/mol:	297.113171
ΔH_f, kcal/mol:	-131.48
Dipole, Da:	2.39
IP(EA), eV:	-9.54(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-2-[1-(4-chlorophenyl)-4-methoxycyclohexyl]acetic acid

Drug info:

PubChemData

Smile

CC(C)OC1=NC=C(C=N1)[C@H](C2=CC=C(C=C2)F)[C@@H](C(=O)N3[C@H](COC3=O)C4=CC=CC=C4)N

DOS

IR

Vibrations