Geometry & MOs

Info

ID:	229722
PubChem CID:	87568660
Reduced:	N3O6C28H31 (1)
Stoich.:	A3B6C28D31 (1)
Weight, g/mol:	570.10946
ΔH_f, kcal/mol:	-127.5
Dipole, Da:	5.35
IP(EA), eV:	-8.81(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-bromo-4-[diethoxyphosphoryl(difluoro)methyl]phenyl]ethyl]-4-(1H-indol-3-yl)butanamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)/C(=C/C2=CC=C(C=C2)C=CC(=O)NCCCCCC(=O)NO)/C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations