Geometry & MOs

Info

ID:	185816
PubChem CID:	77351947
Reduced:	O4C5H8 (2)
Stoich.:	A4B5C8 (2)
Weight, g/mol:	608.284614
ΔH_f, kcal/mol:	-356.96
Dipole, Da:	5.54
IP(EA), eV:	-10.47(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxopyrrolidin-3-yl]acetyl]oxymethyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(=O)C1(C(C(OC(C1O)O)CO)O)OC(=O)C

DOS

IR

Vibrations