Geometry & MOs

Info

ID:	43273
PubChem CID:	10320539
Reduced:	FNO3H26C27 (1)
Stoich.:	ABC3D26E27 (1)
Weight, g/mol:	431.172621
ΔH_f, kcal/mol:	-104.58
Dipole, Da:	2.78
IP(EA), eV:	-9.27(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2S)-3-(2-ethoxyethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]sulfamic acid

Drug info:

PubChemData

Smile

CC(C)C(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2F)C3=CC=CC(=C3)/C=C/C(=O)OC

DOS

IR

Vibrations