Geometry & MOs

Info

ID:	426186
PubChem CID:	135142220
Reduced:	SN3O4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	-72.48
Dipole, Da:	12.88
IP(EA), eV:	-7.8(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CN2C(=C3C=C(C(=CC3=NC2=S)OC)OC)N)OC

DOS

IR

Vibrations