Geometry & MOs

Info

ID:	312609
PubChem CID:	126606792
Reduced:	O5C14H16 (1)
Stoich.:	A5B14C16 (1)
Weight, g/mol:	496.232185
ΔH_f, kcal/mol:	-171.05
Dipole, Da:	2.88
IP(EA), eV:	-8.45(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(11E,14S)-17-methoxy-5-(methoxycarbonylamino)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,11,15,17-heptaen-14-yl]carbamate

Drug info:

PubChemData

Smile

COC1=C(C(=C2C=CC(=CC2=C1)C(O)O)OC)OC

DOS

IR

Vibrations