Geometry & MOs

Info

ID:

415593

PubChem CID:

135088591

Reduced:

ClN5C19H24 (1)

Stoich.:

AB5C19D24 (1)

Weight, g/mol:

715.369347

ΔHf, kcal/mol:

41.49

Dipole, Da:

2.05

IP(EA), eV:

 -8.43(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(9S,12S,15R)-12-benzyl-24-methoxy-4,10,13,16-tetraoxo-15-propan-2-yl-2-oxa-5,11,14,17-tetrazabicyclo[19.3.1]pentacosa-1(24),21(25),22-trien-9-yl]-2,6-dimethylpyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)N2CCCC3(C2)CCC4=CN=C(N=C34)N(C)C)Cl

DOS

IR

Vibrations