Geometry & MOs

Info

ID:	51257
PubChem CID:	12013900
Reduced:	BrNO3C12H12 (2)
Stoich.:	ABC3D12E12 (2)
Weight, g/mol:	506.101142
ΔH_f, kcal/mol:	-221.74
Dipole, Da:	4.13
IP(EA), eV:	-9.55(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[3-[2-(2-carboxy-5-chloroanilino)-2-oxoethyl]-2,2-dimethylcyclobutyl]acetyl]amino]-4-chlorobenzoic acid

Drug info:

PubChemData

Smile

CC1(C(CC1CC(=O)NC2=C(C=C(C=C2)Br)C(=O)O)CC(=O)NC3=C(C=C(C=C3)Br)C(=O)O)C

DOS

IR

Vibrations