Geometry & MOs

Info

ID:	418357
PubChem CID:	135104305
Reduced:	NSO2C18H27 (1)
Stoich.:	ABC2D18E27 (1)
Weight, g/mol:	576.247166
ΔH_f, kcal/mol:	-95.74
Dipole, Da:	2.54
IP(EA), eV:	-8.29(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethoxy-14-[2-(3-methoxyphenoxy)acetyl]-17,20-dioxa-11,14-diazatetracyclo[19.2.2.02,11.03,8]pentacosa-1(23),3,5,7,21,24-hexaen-12-one

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)CC3=CC(=CC=C3)SC)O

DOS

IR

Vibrations