Geometry & MOs

Info

ID:

144124

PubChem CID:

53317033

Reduced:

N4O15C50H86 (1)

Stoich.:

A4B15C50D86 (1)

Weight, g/mol:

428.253589

ΔHf, kcal/mol:

-714.58

Dipole, Da:

4.73

IP(EA), eV:

 -8.29(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[1-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]propan-2-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)CCCNC(=O)NC4=CC5=C(C=C4)OCCCO5)C)O)(C)O

DOS

IR

Vibrations