Geometry & MOs

Info

ID:	418182
PubChem CID:	135103777
Reduced:	OSN2C18H26 (1)
Stoich.:	ABC2D18E26 (1)
Weight, g/mol:	558.28422
ΔH_f, kcal/mol:	-32.18
Dipole, Da:	2.81
IP(EA), eV:	-8.68(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,17R,18S)-5-methoxy-12-(5-methyl-3-phenyl-1,2-oxazole-4-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=CC2(CCN(CC2)CC3=NC4=C(S3)CCCC4)OCC1

DOS

IR

Vibrations