Geometry & MOs

Info

ID:	421243
PubChem CID:	135115641
Reduced:	OSN4C19H22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	544.26857
ΔH_f, kcal/mol:	36.77
Dipole, Da:	6.04
IP(EA), eV:	-8.95(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,17R,18S)-5-methoxy-12-(3-phenyl-1,2-oxazole-5-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=CN=C(C=C1)C2(CCN(CC2)CC3=CC=C(S3)C4=CC=NN4)O

DOS

IR

Vibrations