Geometry & MOs

Info

ID:	337587
PubChem CID:	127258210
Reduced:	N5O7C21H41 (1)
Stoich.:	A5B7C21D41 (1)
Weight, g/mol:	415.279469
ΔH_f, kcal/mol:	-375.39
Dipole, Da:	4.65
IP(EA), eV:	-9.11(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[N'-[(5S)-5-amino-6-(dimethylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

Drug info:

PubChemData

Smile

CC(=O)O.CC(C)(C)OC(=O)NC(=NCCCC[C@@H](C(=O)N(C)C)N)NC(=O)OC(C)(C)C

DOS

IR

Vibrations