Geometry & MOs

Info

ID:	222909
PubChem CID:	85333036
Reduced:	BrSN3O5C28H32 (1)
Stoich.:	ABC3D5E28F32 (1)
Weight, g/mol:	602.06984
ΔH_f, kcal/mol:	-139.15
Dipole, Da:	3.96
IP(EA), eV:	-8.41(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-[[4-bromo-3-[2-(2,4-dichlorophenyl)ethoxy]-5-hydroxybenzoyl]amino]-5-(diaminomethylideneamino)pentanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)CNCC(COC3=CC=CC4=C3C5=C(N4)C(=CC=C5)Br)O

DOS

IR

Vibrations