Geometry & MOs

Info

ID:	423167
PubChem CID:	135119041
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	662.342798
ΔH_f, kcal/mol:	-17.13
Dipole, Da:	2.35
IP(EA), eV:	-8.82(-0.12)
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]-3,4-dihydro-2H-chromene-6-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)OCCN(C)C2=NOC(=N2)C(C)C

DOS

IR

Vibrations