Geometry & MOs

Info

ID:	424972
PubChem CID:	135124638
Reduced:	SN4O4C28H34 (1)
Stoich.:	AB4C4D28E34 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-72.43
Dipole, Da:	2.2
IP(EA), eV:	-8.74(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[3-(hydroxymethyl)-4-methylphenyl]-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)C(C3=NC(=C(S3)C)COCC4=CC=C(C=C4)OC)C(C)(C)C(=O)OC)C)N=N1

DOS

IR

Vibrations