Geometry & MOs

Info

ID:	424976
PubChem CID:	135124652
Reduced:	FNO5H28C30 (1)
Stoich.:	ABC5D28E30 (1)
Weight, g/mol:	493.203528
ΔH_f, kcal/mol:	-152.34
Dipole, Da:	5.53
IP(EA), eV:	-9.02(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[4-[(4-methoxyphenyl)methoxymethyl]-5-methylthiophen-2-yl]propanoate

Drug info:

PubChemData

Smile

CC#CC(CC(=O)O)C1=CC=C(C=C1)O[C@@H]2CCC3=C(C=CC(=C23)F)C4=CC(=CN=C4)OC5CCOC5

DOS

IR

Vibrations