Geometry & MOs

Info

ID:	179592
PubChem CID:	76506494
Reduced:	N2O5C20H36 (1)
Stoich.:	A2B5C20D36 (1)
Weight, g/mol:	617.321334
ΔH_f, kcal/mol:	-282.13
Dipole, Da:	3.02
IP(EA), eV:	-9.58(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[3-[1-(2-aminopropanoyl)-3-naphthalen-1-yl-2H-imidazol-4-yl]-1-[(1,2-dihydroxy-5-methylhexan-3-yl)amino]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC(CC)CC(C1C(CC(N1)C(=O)OC(C)(C)C)C(=O)OC)NC(=O)C

DOS

IR

Vibrations