Geometry & MOs

Info

ID:	175186
PubChem CID:	75864760
Reduced:	FO5N6H19C22 (1)
Stoich.:	AB5C6D19E22 (1)
Weight, g/mol:	454.104397
ΔH_f, kcal/mol:	-81.61
Dipole, Da:	2.74
IP(EA), eV:	-9.0(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)F

DOS

IR

Vibrations