Geometry & MOs

Info

ID:	79939
PubChem CID:	49831582
Reduced:	N2O4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	346.210387
ΔH_f, kcal/mol:	-112.55
Dipole, Da:	2.19
IP(EA), eV:	-9.4(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[10-[(2R)-1-methoxy-1-oxopropan-2-yl]-1,7-dioxa-4,10-diazacyclododec-4-yl]propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=O)C(=C(O1)C)C(=O)NCC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations