Geometry & MOs

Info

ID:	414515
PubChem CID:	135087474
Reduced:	N5C18H23 (1)
Stoich.:	A5B18C23 (1)
Weight, g/mol:	632.332233
ΔH_f, kcal/mol:	70.73
Dipole, Da:	1.22
IP(EA), eV:	-8.41(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(6S,9R,12R,15S)-6-benzyl-4,9-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclooctadec-15-yl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CN(C)C1=NC2=C(CCCC2)C(=N1)N3CC(C3)C4=CC=NC=C4

DOS

IR

Vibrations