Geometry & MOs

Info

ID:	20235
PubChem CID:	582782
Reduced:	N3O5C26H43 (1)
Stoich.:	A3B5C26D43 (1)
Weight, g/mol:	477.320271
ΔH_f, kcal/mol:	-293.89
Dipole, Da:	1.95
IP(EA), eV:	-9.62(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[[2-(adamantane-1-carbonylamino)-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C)C(=O)OC)NC(=O)C(C(C)C)NC(=O)C12CC3CC(C1)CC(C3)C2

DOS

IR

Vibrations