Geometry & MOs

Info

ID:	311146
PubChem CID:	126589625
Reduced:	N2O3C23H26 (1)
Stoich.:	A2B3C23D26 (1)
Weight, g/mol:	407.180484
ΔH_f, kcal/mol:	-109.26
Dipole, Da:	8.0
IP(EA), eV:	-8.98(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC[C@H](C1=CC(=O)N[C@H](C1)C2=NC3=C4C(=C2)CCCC4=C(C(=C3)C)C)C(=O)O

DOS

IR

Vibrations