Geometry & MOs

Info

ID:	416429
PubChem CID:	135089442
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	673.322397
ΔH_f, kcal/mol:	-5.87
Dipole, Da:	2.08
IP(EA), eV:	-8.84(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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]-4-(1,3-oxazol-5-yl)benzamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)CC3=CSC=C3

DOS

IR

Vibrations