Geometry & MOs

Info

ID:

422968

PubChem CID:

135118702

Reduced:

N3O4C19H25 (2)

Stoich.:

A3B4C19D25 (2)

Weight, g/mol:

386.195405

ΔHf, kcal/mol:

-276.77

Dipole, Da:

11.86

IP(EA), eV:

 -9.1(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-(4-oxoquinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)C3=CC4=C(C=C3)OCCC4)CC5=CC=CC=C5)[C@@H](C)O

DOS

IR

Vibrations