Geometry & MOs

Info

ID:	417461
PubChem CID:	135094901
Reduced:	NO5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	551.299536
ΔH_f, kcal/mol:	-207.64
Dipole, Da:	6.93
IP(EA), eV:	-9.44(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,17R,18S)-12-[2-(3,4-dimethoxyphenyl)acetyl]-5-methoxy-7-oxa-12,15,22-triazatetracyclo[15.5.1.12,6.018,22]tetracosa-2(24),3,5-trien-14-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1O)C(=O)N2CC[C@@H]([C@@H](C2)O)C(=O)O

DOS

IR

Vibrations