Geometry & MOs

Info

ID:	418565
PubChem CID:	135105782
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	478.258006
ΔH_f, kcal/mol:	-10.1
Dipole, Da:	2.47
IP(EA), eV:	-8.53(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,17R,18S)-5-methoxy-12-(pyridine-3-carbonyl)-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=NN(C=C1NC(=O)CN2C[C@H]([C@H](C2)O)CC3=CC=NC4=CC=CC=C34)C

DOS

IR

Vibrations