Geometry & MOs

Info

ID:	390984
PubChem CID:	135002037
Reduced:	N2O7C23H26 (1)
Stoich.:	A2B7C23D26 (1)
Weight, g/mol:	362.15902
ΔH_f, kcal/mol:	-265.89
Dipole, Da:	2.27
IP(EA), eV:	-9.55(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-[4-(2-hydroxyethyl)triazol-1-yl]-2-(phenylmethoxycarbonylamino)butanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@H]2[C@@H]([C@@H](N1CC3=CC=CC=C3)C4=C[C@@H]5[C@H](O4)OC(O5)(C)C)C(=O)NC2=O

DOS

IR

Vibrations