Geometry & MOs

Info

ID:	426187
PubChem CID:	135142221
Reduced:	N3O4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	-110.92
Dipole, Da:	5.92
IP(EA), eV:	-8.49(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-3-(1-ethyl-7-methoxy-4-methylbenzotriazol-5-yl)-3-[3-(hydroxymethyl)-4-methylphenyl]-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2N=N1)C)[C@@H](C3=CC(=C(C=C3)C)CO)C(C)(C)C(=O)OC)OC

DOS

IR

Vibrations