Geometry & MOs

Info

ID:	304673
PubChem CID:	124766041
Reduced:	N2O5C18H22 (1)
Stoich.:	A2B5C18D22 (1)
Weight, g/mol:	521.263819
ΔH_f, kcal/mol:	-176.55
Dipole, Da:	0.98
IP(EA), eV:	-8.88(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-(4-ethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](N[C@H]2C3=CC=C(C=C3)OC)(C)C(=O)OC

DOS

IR

Vibrations