Geometry & MOs

Info

ID:	307664
PubChem CID:	125307952
Reduced:	ClOSN4H11C19 (1)
Stoich.:	ABCD4E11F19 (1)
Weight, g/mol:	485.168581
ΔH_f, kcal/mol:	95.3
Dipole, Da:	4.9
IP(EA), eV:	-9.07(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,10S)-10-[(3S,4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-3-yl]oxy-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C3=NC4=CC=CC=C4S3)Cl

DOS

IR

Vibrations