Geometry & MOs

Info

ID:	447471
PubChem CID:	135283119
Reduced:	O3N6C28H30 (1)
Stoich.:	A3B6C28D30 (1)
Weight, g/mol:	320.069448
ΔH_f, kcal/mol:	-19.03
Dipole, Da:	4.73
IP(EA), eV:	-8.34(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-5-(4,6-dichloropyridin-3-yl)oxy-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(=C)C(=O)NCCOC(=O)NCC1=CC=C(C=C1)CN2C(=NC3=C2C4=CC=CC=C4N=C3N)C5CC5

DOS

IR

Vibrations