Geometry & MOs

Info

ID:	7501
PubChem CID:	73151
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	-98.87
Dipole, Da:	4.92
IP(EA), eV:	-8.57(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,14R,18R)-15-ethylidene-17-formyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate

Drug info:

PubChemData

Smile

CC=C1CN([C@H]2CC3=C(C(=O)C[C@@H]1[C@H]2C(=O)OC)NC4=CC=CC=C34)C=O

DOS

IR

Vibrations