Geometry & MOs

Info

ID:	414850
PubChem CID:	135087822
Reduced:	SO2N4C15H24 (1)
Stoich.:	AB2C4D15E24 (1)
Weight, g/mol:	581.240497
ΔH_f, kcal/mol:	-55.35
Dipole, Da:	0.93
IP(EA), eV:	-8.98(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11R)-15-[3-(2-chlorophenyl)propanoyl]-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

Drug info:

PubChemData

Smile

CCC(C(=O)N1CCCN(CC1)C(=O)CSC)N2C=CC=N2

DOS

IR

Vibrations