Geometry & MOs

Info

ID:	176716
PubChem CID:	76087045
Reduced:	BN4O4C15H31 (1)
Stoich.:	AB4C4D15E31 (1)
Weight, g/mol:	456.269005
ΔH_f, kcal/mol:	-228.71
Dipole, Da:	6.3
IP(EA), eV:	-8.97(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[acetamido(methylsulfanyl)methylidene]amino]-2-[[6-[ethanimidoyl(methyl)amino]-3-methylhexanoyl]-methylamino]-3-oxopropyl]-methylboronamidic acid

Drug info:

PubChemData

Smile

B(C)(NCC(C(=O)O)N(C)C(=O)CC(C)CCCN(C)C(=N)C)O

DOS

IR

Vibrations