Geometry & MOs

Info

ID:	317375
PubChem CID:	126636930
Reduced:	NCl2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	412.163436
ΔH_f, kcal/mol:	-20.56
Dipole, Da:	3.29
IP(EA), eV:	-8.85(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R,6Z,10S,12E)-5-ethenyl-9,10,21-trihydroxy-4,18-dimethyl-3-oxa-16,18-diazatricyclo[12.7.0.015,19]henicosa-1(21),6,12,14,16,19-hexaene-2,8-dione

Drug info:

PubChemData

Smile

CC1CCN(CC1)[C@@H](C)C2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations