Geometry & MOs

Info

ID:

418349

PubChem CID:

135104248

Reduced:

FSN6O7C35H47 (1)

Stoich.:

ABC6D7E35F47 (1)

Weight, g/mol:

384.216141

ΔHf, kcal/mol:

-316.28

Dipole, Da:

3.19

IP(EA), eV:

 -8.63(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-5-methyl-2-phenyl-1H-imidazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CN(CC(=O)N1)C(=O)C2=CC(=C(C=C2)OC)F)CC3=CC=CC=C3)C)CCSC)C(C)C

DOS

IR

Vibrations