Geometry & MOs

Info

ID:	313540
PubChem CID:	126615714
Reduced:	FPSO6N7C18H19 (1)
Stoich.:	ABCD6E7F18G19 (1)
Weight, g/mol:	235.095691
ΔH_f, kcal/mol:	-240.04
Dipole, Da:	6.42
IP(EA), eV:	-9.07(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(6-methylpyridin-2-yl)carbamoyl]azetidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)[C@@H]2C[C@H](CN2C(=O)CN3C4=C(C(=N3)C(=O)N)N=C(S4)P(=O)(O)O)F

DOS

IR

Vibrations