Geometry & MOs

Info

ID:	310504
PubChem CID:	126581006
Reduced:	NPO4C9H16 (1)
Stoich.:	ABC4D9E16 (1)
Weight, g/mol:	459.136112
ΔH_f, kcal/mol:	-197.57
Dipole, Da:	7.08
IP(EA), eV:	-9.97(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-3-[3-[[5-chloro-1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]methoxy]phenyl]-3-cyclopropylpropanoate

Drug info:

PubChemData

Smile

CC#CC[C@@H](C(=O)CP(=O)(OC)OC)N

DOS

IR

Vibrations