Geometry & MOs

Info

ID:	184756
PubChem CID:	77204401
Reduced:	NO9C30H47 (1)
Stoich.:	AB9C30D47 (1)
Weight, g/mol:	595.335647
ΔH_f, kcal/mol:	-426.88
Dipole, Da:	6.61
IP(EA), eV:	-9.0(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-2-[[3,4-bis(3-methylbutan-2-yloxycarbonyloxy)phenyl]methyl]-4-(2-methylpentanoyloxy)pentanoate

Drug info:

PubChemData

Smile

CCCC(C)C(=O)OC1=C(C=C(C=C1)CC(C(=O)OC)NCCOC(=O)OCCC(C)C)OC(=O)C(C)CCC

DOS

IR

Vibrations