Geometry & MOs

Info

ID:	44390
PubChem CID:	10503323
Reduced:	SO2N3C25H35 (1)
Stoich.:	AB2C3D25E35 (1)
Weight, g/mol:	441.335528
ΔH_f, kcal/mol:	-34.56
Dipole, Da:	2.28
IP(EA), eV:	-8.65(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,5R,11S,12S,15R,16R)-5-azido-2,16-dimethyl-15-(6-methylheptan-2-yl)-8-oxatetracyclo[9.7.0.02,7.012,16]octadec-6-en-9-one

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CSC(=C1)[C@@H](C2=CC(=CC=C2)O)N3C[C@H](N(C[C@@H]3C)CC=C)C

DOS

IR

Vibrations