Geometry & MOs

Info

ID:	415423
PubChem CID:	135088417
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	411.22704
ΔH_f, kcal/mol:	-45.15
Dipole, Da:	3.83
IP(EA), eV:	-8.58(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,23S)-15-methoxy-13-oxa-3,8,9,10,21-pentazapentacyclo[19.4.1.18,11.03,23.014,19]heptacosa-9,11(27),14(19),15,17-pentaen-4-one

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)N(C)C

DOS

IR

Vibrations