Geometry & MOs

Info

ID:	432589
PubChem CID:	135172723
Reduced:	FSN7O11C47H74 (1)
Stoich.:	ABC7D11E47F74 (1)
Weight, g/mol:	322.168128
ΔH_f, kcal/mol:	-577.19
Dipole, Da:	7.98
IP(EA), eV:	-8.79(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,3-N-dimethyl-2,4-diphenylcyclobutane-1,3-dicarboxamide

Drug info:

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=C(C=C2)F)C(=O)O)OC)OC)N(C)C(=O)CNC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN3C(=O)CC(C3=O)SCN

DOS

IR

Vibrations