Geometry & MOs

Info

ID:	425033
PubChem CID:	135124918
Reduced:	O2N5C25H27 (1)
Stoich.:	A2B5C25D27 (1)
Weight, g/mol:	388.156912
ΔH_f, kcal/mol:	23.59
Dipole, Da:	5.17
IP(EA), eV:	-8.42(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC(CC1)OC2=CC(=CC3=C2NC(=O)C34CCC4)C5=NN(C=C5)C6=CC=NC=C6

DOS

IR

Vibrations