Geometry & MOs

Info

ID:	304638
PubChem CID:	124766006
Reduced:	N3O4C25H29 (1)
Stoich.:	A3B4C25D29 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-129.13
Dipole, Da:	3.93
IP(EA), eV:	-8.28(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-2-[(1S,2S,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC=C(C=C3)N(C)C)C(=O)N(C2=O)C)CC4=CC=CC=C4

DOS

IR

Vibrations