Geometry & MOs

Info

ID:	316160
PubChem CID:	126630242
Reduced:	O2N3C26H29 (1)
Stoich.:	A2B3C26D29 (1)
Weight, g/mol:	414.247835
ΔH_f, kcal/mol:	-40.64
Dipole, Da:	2.93
IP(EA), eV:	-9.15(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]diazinane-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)CCC4=CC=CC=C4

DOS

IR

Vibrations