Geometry & MOs

Info

ID:	44079
PubChem CID:	10500663
Reduced:	N3O5C20H29 (1)
Stoich.:	A3B5C20D29 (1)
Weight, g/mol:	391.243084
ΔH_f, kcal/mol:	-228.93
Dipole, Da:	5.2
IP(EA), eV:	-9.07(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-[(2-aminoacetyl)amino]-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxyethylamino]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC(C)(C)NCC(C1=C2C=CC(=O)NC2=C(C=C1)O)O

DOS

IR

Vibrations