Geometry & MOs

Info

ID:	328180
PubChem CID:	126693145
Reduced:	PN6O6C27H35 (1)
Stoich.:	AB6C6D27E35 (1)
Weight, g/mol:	378.226705
ΔH_f, kcal/mol:	-221.4
Dipole, Da:	6.43
IP(EA), eV:	-9.13(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[[2-(aminomethyl)-3-phenylpropanoyl]amino]-N-[(3S)-1-amino-4-oxopentan-3-yl]-3-hydroxybutanamide

Drug info:

PubChemData

Smile

CCC(CC)COC(=O)[C@H](C)NP(=O)(OC[C@@H]1CC[C@](O1)(C#N)C2=CC=C3N2N=CN=C3N)OC4=CC=CC=C4

DOS

IR

Vibrations